General Information of the Compound
| Compound ID |
CP0476011
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| Compound Name |
N-[4-(1-methyl-5,6,7,8-tetrahydropyrrolo[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C29H27N3O2
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| Molecular Weight |
449.554
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| Canonical SMILES |
Cn1ccc2N(CCCCc12)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H27N3O2/c1-31-20-18-27-26(31)13-7-8-19-32(27)29(34)22-14-16-23(17-15-22)30-28(33)25-12-6-5-11-24(25)21-9-3-2-4-10-21/h2-6,9-12,14-18,20H,7-8,13,19H2,1H3,(H,30,33)
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| InChIKey |
RRHOINWFAMAGIC-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