General Information of the Compound
| Compound ID |
CP0969410
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| Compound Name |
(5R,11aS)-5-(4-Chlorophenyl)-2-(4-methylbenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]-indole-1,3(2H)-dione
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| Structure |
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| Formula |
C27H22ClN3O2
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| Molecular Weight |
455.945
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| Canonical SMILES |
Cc1ccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccc(Cl)cc4)N3C2=O)cc1
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| InChI |
InChI=1S/C27H22ClN3O2/c1-16-6-8-17(9-7-16)15-30-26(32)23-14-21-20-4-2-3-5-22(20)29-24(21)25(31(23)27(30)33)18-10-12-19(28)13-11-18/h2-13,23,25,29H,14-15H2,1H3/t23-,25+/m0/s1
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| InChIKey |
NCIMRRHGTFECPC-UKILVPOCSA-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