General Information of the Compound
| Compound ID |
CP0330352
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| Compound Name |
8-(methanesulfonamido)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2-(2-methylpropyl)-1-oxo-3H-2-benzazepine-4-carboxamide
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| Structure |
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| Formula |
C29H38N4O5S
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| Molecular Weight |
554.713
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| Canonical SMILES |
CC(C)CN1CC(=Cc2ccc(NS(C)(=O)=O)cc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1
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| InChI |
InChI=1S/C29H38N4O5S/c1-20(2)17-33-19-23(15-22-7-10-25(31-39(4,36)37)16-27(22)29(33)35)28(34)30-24-8-5-21(6-9-24)18-32(3)26-11-13-38-14-12-26/h5-10,15-16,20,26,31H,11-14,17-19H2,1-4H3,(H,30,34)
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| InChIKey |
CVXKZZXEKNEZQM-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