General Information of the Compound
| Compound ID |
CP0357770
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| Compound Name |
Biphenyl-2-carboxylic acid [4-(2-oxo-1,2,2a,3,4,5-hexahydro-azepino[4,3,2-cd]indole-6-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C31H25N3O3
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| Molecular Weight |
487.559
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCC2C(=O)Nc3cccc1c23)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C31H25N3O3/c35-29(24-11-5-4-10-23(24)20-8-2-1-3-9-20)32-22-17-15-21(16-18-22)31(37)34-19-7-12-25-28-26(33-30(25)36)13-6-14-27(28)34/h1-6,8-11,13-18,25H,7,12,19H2,(H,32,35)(H,33,36)
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| InChIKey |
PWXCMKYVELLZDF-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