General Information of the Compound
| Compound ID |
CP0569044
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| Compound Name |
4-[5-[(2-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]benzonitrile
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| Structure |
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| Formula |
C23H17N3O3S
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| Molecular Weight |
415.474
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H17N3O3S/c24-14-16-9-11-17(12-10-16)22-13-23(27)25(20-7-3-4-8-21(20)30-22)15-18-5-1-2-6-19(18)26(28)29/h1-12,22H,13,15H2
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| InChIKey |
FSRASBZAZXIVFM-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