General Information of the Compound
| Compound ID |
CP0538497
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| Compound Name |
4-[5-[(2-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-N-piperidin-1-ylbenzamide
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| Structure |
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| Formula |
C28H28N4O4S
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| Molecular Weight |
516.623
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C28H28N4O4S/c33-27-18-26(20-12-14-21(15-13-20)28(34)29-30-16-6-1-7-17-30)37-25-11-5-4-10-24(25)31(27)19-22-8-2-3-9-23(22)32(35)36/h2-5,8-15,26H,1,6-7,16-19H2,(H,29,34)
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| InChIKey |
HSQYBSSUNUOACJ-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