24847472
  -OEChem-04162407402D

 57 60  0     1  0  0  0  0  0999 V2000
   15.3883    0.6605    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3305   -2.6381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0027   -0.0727    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.6974   -1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7433    0.5992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    2.1489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3987    0.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3307    0.6678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9549   -0.3781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    1.1967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    1.7256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534    0.4561    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0480   -0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7200   -1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6955    0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1666   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    1.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    1.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040    0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    1.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6477   -0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1189   -1.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    2.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123    0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    2.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5427    1.0465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4995   -0.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6682   -0.9861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5200    1.2582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   -1.5672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9545   -1.8106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9845    0.8424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2055    0.6737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5471   -1.3795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0827   -1.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9422    3.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    3.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    2.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3588   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1378   -0.3913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7384   -1.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2028   -1.0465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2214    2.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -0.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459    0.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    2.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -0.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5701    2.6081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    1.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    0.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 55  1  0  0  0  0
  7 22  2  0  0  0  0
  8 12  1  0  0  0  0
  8 36  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 24  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 25  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  2  0  0  0  0
 21 30  2  0  0  0  0
 23 26  2  0  0  0  0
 23 28  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 31  1  0  0  0  0
 29 53  1  0  0  0  0
 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24847472

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
699

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAIGAAAAAAAAAAAAAAAAAYAAAAA8YIAAAAAAAGABQAAAHgIUiCAADAvhmEYxwILQARCIQiRCUICCAAAhAgAoiIAIZIiIICLAkZHEIAhqlwLIyCcQgMAOiAAAQAAQAAAQAACAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(9H-fluoren-2-yl)-1-hydroxy-urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphorinan-4-yl]-3-(9H-fluoren-2-yl)-1-hydroxyurea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2&lambda;<SUP>5</SUP>-oxazaphosphinan-4-yl]-3-(9<I>H</I>-fluoren-2-yl)-1-hydroxyurea

> <PUBCHEM_IUPAC_NAME>
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(9H-fluoren-2-yl)-1-hydroxyurea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-[bis(2-chloroethyl)amino]-2-oxidanylidene-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(9H-fluoren-2-yl)-1-oxidanyl-urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-[bis(2-chloroethyl)amino]-2-keto-1,3,2lambda5-oxazaphosphorinan-4-yl]-3-(9H-fluoren-2-yl)-1-hydroxy-urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H25Cl2N4O4P/c22-8-10-26(11-9-23)32(30)25-20(7-12-31-32)27(29)21(28)24-17-5-6-19-16(14-17)13-15-3-1-2-4-18(15)19/h1-6,14,20,29H,7-13H2,(H,24,28)(H,25,30)

> <PUBCHEM_IUPAC_INCHIKEY>
PJRWKVFIYLQKBV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
498.0990477

> <PUBCHEM_MOLECULAR_FORMULA>
C21H25Cl2N4O4P

> <PUBCHEM_MOLECULAR_WEIGHT>
499.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COP(=O)(NC1N(C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3)O)N(CCCl)CCCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COP(=O)(NC1N(C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3)O)N(CCCl)CCCl

> <PUBCHEM_CACTVS_TPSA>
94.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
498.0990477

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  10  3
17  19  8
17  26  8
19  27  8
20  21  8
20  29  8
21  30  8
23  26  8
23  28  8
27  28  8
29  31  8
3  9  3
30  32  8
31  32  8

$$$$