General Information of the Compound
| Compound ID |
CP0002635
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| Compound Name |
8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one
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| Synonyms |
142273-18-5
7,12-Dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
8,18-diazatetracyclo[9.7.0.0
AC1L7YZ4
AC1Q6O0K
AKOS024113922
BDBM7287
CHEBI:138487
CHEMBL430574
CTK4C3026
DTXSID30327277
FT-0673529
NCI60_013826
NSC 641166
NSC-641166
NSC641166
PAULLONE
Paullone
RT-014947
SCHEMBL3178594
ZINC1626613
{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one
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| Structure |
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| Formula |
C16H12N2O
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| Molecular Weight |
248.285
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| Canonical SMILES |
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
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| InChI |
InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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| InChIKey |
VGMDAWVZNAXVDG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound