General Information of the Compound
| Compound ID |
CP0388637
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| Compound Name |
5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-6-(4-sulfamoylpiperidin-1-yl)nicotinamide
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| Structure |
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| Formula |
C21H18ClF4N5O3S2
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| Molecular Weight |
563.986
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| Canonical SMILES |
NS(=O)(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C21H18ClF4N5O3S2/c22-15-8-11(9-28-18(15)31-6-4-12(5-7-31)36(27,33)34)19(32)30-20-29-16(10-35-20)13-2-1-3-14(17(13)23)21(24,25)26/h1-3,8-10,12H,4-7H2,(H2,27,33,34)(H,29,30,32)
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| InChIKey |
BVPMSDQLPDBRKK-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