24049021
  -OEChem-05102400362D

 45 48  0     0  0  0  0  0  0999 V2000
    8.9030   -4.2603    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -4.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    4.2090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.8194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -4.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -2.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -4.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -4.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    3.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.3002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -1.6802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -5.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -2.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -5.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -2.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572    2.3864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0243    1.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5276    3.0545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4457    4.2603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993    4.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 12  2  0  0  0  0
  3 26  1  0  0  0  0
  3 45  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 14  2  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 29  1  0  0  0  0
 11 16  2  0  0  0  0
 11 30  1  0  0  0  0
 12 17  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24049021

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
575

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHwAACAAADAzBngw+xrMMGgCoA7R3RACCgCA3IiAI2CG+bNgIJvLClbOEcQhmwBnI2YeY2cGegAAAAgAAAAAAAAAEAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-3-indolizinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methylindolizin-3-yl]methanone

> <PUBCHEM_IUPAC_NAME>
(4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methylindolizin-3-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-fluorophenyl)-[1-[(3-hydroxyphenyl)iminomethyl]-2-methyl-indolizin-3-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H17FN2O2/c1-15-20(14-25-18-5-4-6-19(27)13-18)21-7-2-3-12-26(21)22(15)23(28)16-8-10-17(24)11-9-16/h2-14,27H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
WAGXQOIJKNGIDT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
372.12740595

> <PUBCHEM_MOLECULAR_FORMULA>
C23H17FN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N2C=CC=CC2=C1C=NC3=CC(=CC=C3)O)C(=O)C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N2C=CC=CC2=C1C=NC3=CC(=CC=C3)O)C(=O)C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
54.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.12740595

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
10  15  8
11  16  8
15  16  8
17  18  8
17  19  8
18  21  8
19  22  8
20  24  8
20  25  8
21  23  8
22  23  8
24  26  8
25  27  8
26  28  8
27  28  8
4  10  8
4  6  8
4  7  8
6  8  8
7  11  8
7  9  8
8  9  8

$$$$