General Information of the Compound
| Compound ID |
CP0496421
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| Compound Name |
4'-Methyl-biphenyl-2-carboxylic acid [4-(1-methyl-1,3,4,5-tetrahydro-azepino[4,3,2-cd]indole-6-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C33H29N3O2
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| Molecular Weight |
499.614
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2cn(C)c3cccc1c23
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| InChI |
InChI=1S/C33H29N3O2/c1-22-12-14-23(15-13-22)27-8-3-4-9-28(27)32(37)34-26-18-16-24(17-19-26)33(38)36-20-6-7-25-21-35(2)29-10-5-11-30(36)31(25)29/h3-5,8-19,21H,6-7,20H2,1-2H3,(H,34,37)
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| InChIKey |
DNYLUQFAZCTBCG-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