General Information of the Compound
| Compound ID |
CP0068310
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| Compound Name |
N-[(3-chlorophenyl)methyl]-4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)benzamide
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| Structure |
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| Formula |
C23H19ClN2O2S
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| Molecular Weight |
422.937
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| Canonical SMILES |
Clc1cccc(CNC(=O)c2ccc(cc2)C2CC(=O)Nc3ccccc3S2)c1
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| InChI |
InChI=1S/C23H19ClN2O2S/c24-18-5-3-4-15(12-18)14-25-23(28)17-10-8-16(9-11-17)21-13-22(27)26-19-6-1-2-7-20(19)29-21/h1-12,21H,13-14H2,(H,25,28)(H,26,27)
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| InChIKey |
YESIWNGKFXFJCT-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