General Information of the Compound
| Compound ID |
CP0426933
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| Compound Name |
2-(4-chlorophenyl)-3-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C19H18ClN3OS
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| Molecular Weight |
371.893
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| Canonical SMILES |
CC(C)C(C(=O)Nc1nc(cs1)-c1cccnc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H18ClN3OS/c1-12(2)17(13-5-7-15(20)8-6-13)18(24)23-19-22-16(11-25-19)14-4-3-9-21-10-14/h3-12,17H,1-2H3,(H,22,23,24)
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| InChIKey |
YHUCCEWONYIORT-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