General Information of the Compound
| Compound ID |
CP0457485
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| Compound Name |
5-[(2-nitrophenyl)methyl]-2-(4-phenylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
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| Structure |
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| Formula |
C28H22N2O3S
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| Molecular Weight |
466.562
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C28H22N2O3S/c31-28-18-27(22-16-14-21(15-17-22)20-8-2-1-3-9-20)34-26-13-7-6-12-25(26)29(28)19-23-10-4-5-11-24(23)30(32)33/h1-17,27H,18-19H2
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| InChIKey |
UHYDECGWRNBBOU-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