General Information of the Compound
| Compound ID |
CP0511186
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| Compound Name |
4'-Methyl-biphenyl-2-carboxylic acid [4-(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 |
C32H27N3O2
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| Molecular Weight |
485.587
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
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| InChI |
InChI=1S/C32H27N3O2/c1-21-11-13-22(14-12-21)26-7-2-3-8-27(26)31(36)34-25-17-15-23(16-18-25)32(37)35-19-5-6-24-20-33-28-9-4-10-29(35)30(24)28/h2-4,7-18,20,33H,5-6,19H2,1H3,(H,34,36)
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| InChIKey |
TWJSVVKBRWHUPB-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