General Information of the Compound
| Compound ID |
CP0522939
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| Compound Name |
N-(6-aminopyridin-3-yl)-N-[2-(4-chlorophenyl)ethyl]-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C22H18ClN3OS
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| Molecular Weight |
407.926
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| Canonical SMILES |
Nc1ccc(cn1)N(CCc1ccc(Cl)cc1)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C22H18ClN3OS/c23-16-7-5-15(6-8-16)11-12-26(17-9-10-21(24)25-13-17)22(27)19-14-28-20-4-2-1-3-18(19)20/h1-10,13-14H,11-12H2,(H2,24,25)
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| InChIKey |
SZWKARYDIUMUAG-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