General Information of the Compound
| Compound ID |
CP0491972
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| Compound Name |
N-[(1S)-2-[(4-carbamoylphenyl)methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
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| Formula |
C32H27N3O4S
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| Molecular Weight |
549.652
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| Canonical SMILES |
NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2cc3ccccc3s2)c2ccc(OCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C32H27N3O4S/c33-30(36)24-12-10-21(11-13-24)19-34-32(38)29(35-31(37)28-18-25-8-4-5-9-27(25)40-28)23-14-16-26(17-15-23)39-20-22-6-2-1-3-7-22/h1-18,29H,19-20H2,(H2,33,36)(H,34,38)(H,35,37)/t29-/m0/s1
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| InChIKey |
PKYGKDQHCBXOKJ-LJAQVGFWSA-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