General Information of the Compound
| Compound ID |
CP0230662
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| Compound Name |
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 |
C31H25N3O2
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| Molecular Weight |
471.56
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C31H25N3O2/c35-30(26-12-5-4-11-25(26)21-8-2-1-3-9-21)33-24-17-15-22(16-18-24)31(36)34-19-7-10-23-20-32-27-13-6-14-28(34)29(23)27/h1-6,8-9,11-18,20,32H,7,10,19H2,(H,33,35)
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| InChIKey |
OIOWQZHYLNNEAS-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