General Information of the Compound
| Compound ID |
CP0445572
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| Compound Name |
2-[[2-[4-(benzylcarbamoyl)phenyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]methyl]benzamide
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| Structure |
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| Formula |
C31H27N3O3S
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| Molecular Weight |
521.642
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| Canonical SMILES |
NC(=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C31H27N3O3S/c32-30(36)25-11-5-4-10-24(25)20-34-26-12-6-7-13-27(26)38-28(18-29(34)35)22-14-16-23(17-15-22)31(37)33-19-21-8-2-1-3-9-21/h1-17,28H,18-20H2,(H2,32,36)(H,33,37)
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| InChIKey |
WLMUPZAEGJBYMO-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