General Information of the Compound
| Compound ID |
CP0524572
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| Compound Name |
(6-{4-[(4'-Methyl-biphenyl-2-carbonyl)-amino]-benzoyl}-3,4,5,6-tetrahydro-azepino[4,3,2-cd]indol-1-yl)-acetic acid ethyl ester
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| Structure |
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| Formula |
C36H33N3O4
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| Molecular Weight |
571.677
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| Canonical SMILES |
CCOC(=O)Cn1cc2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccc(C)cc4)cc3)c3cccc1c23
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| InChI |
InChI=1S/C36H33N3O4/c1-3-43-33(40)23-38-22-27-8-7-21-39(32-12-6-11-31(38)34(27)32)36(42)26-17-19-28(20-18-26)37-35(41)30-10-5-4-9-29(30)25-15-13-24(2)14-16-25/h4-6,9-20,22H,3,7-8,21,23H2,1-2H3,(H,37,41)
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| InChIKey |
TZRBIPIOYRXPEB-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