16760627
  -OEChem-04252410232D

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M  END
> <PUBCHEM_COMPOUND_CID>
16760627

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1140

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB/uAAAAAAAAAAAAAAAAAAAAWLFgAA0YMGCBYAAAFix/gAAHgAQAAAADDzhngYywPPMFACoAyVyVACCgCQlEiAI2KE4dNgLYPLA1ZGfIQhmhgDayYf82cOeyAACQAASACCQAASAACQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-N-methyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-N-methylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1<SUP>2,6</SUP>.0<SUP>7,28</SUP>.0<SUP>8,13</SUP>.0<SUP>15,19</SUP>.0<SUP>20,27</SUP>.0<SUP>21,26</SUP>]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-<I>N</I>-methylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-(3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-N-methylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-methoxy-2-methyl-16-oxidanylidene-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-N-methyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(16-keto-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-N-methyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)

> <PUBCHEM_IUPAC_INCHIKEY>
BMGQWWVMWDBQGC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
570.22670545

> <PUBCHEM_MOLECULAR_FORMULA>
C35H30N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
570.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC

> <PUBCHEM_CACTVS_TPSA>
77.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
570.22670545

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
43

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  3
14  15  8
14  16  8
15  17  8
16  21  8
16  22  8
17  23  8
17  24  8
18  21  8
18  26  8
10  2  3
20  24  8
20  28  8
21  29  8
22  23  8
24  31  8
26  34  8
28  36  8
29  35  8
31  37  8
34  35  8
36  37  8
38  39  8
38  40  8
39  41  8
40  42  8
41  43  8
42  43  8
5  14  8
5  18  8
6  15  8
6  20  8
12  7  3
9  19  3

$$$$