General Information of the Compound
| Compound ID |
CP0536489
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| Compound Name |
4-[5-[(2-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C28H22N4O4S
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| Molecular Weight |
510.575
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C28H22N4O4S/c33-27-17-25(19-12-14-20(15-13-19)28(34)30-26-11-5-6-16-29-26)37-24-10-4-3-9-23(24)31(27)18-21-7-1-2-8-22(21)32(35)36/h1-16,25H,17-18H2,(H,29,30,34)
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| InChIKey |
LGRUVLYQRJTUBF-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