General Information of the Compound
| Compound ID |
CP0546933
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| Compound Name |
2-(4-chlorophenyl)-5-[(2-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one
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| Structure |
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| Formula |
C22H17ClN2O3S
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| Molecular Weight |
424.909
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H17ClN2O3S/c23-17-11-9-15(10-12-17)21-13-22(26)24(19-7-3-4-8-20(19)29-21)14-16-5-1-2-6-18(16)25(27)28/h1-12,21H,13-14H2
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| InChIKey |
FFXWOAKRZXWYJW-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