General Information of the Compound
| Compound ID |
CP0522684
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| Compound Name |
6-(4-(2H-tetrazol-5-yl)piperidin-1-yl)-5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)nicotinamide
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| Structure |
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| Formula |
C22H17ClF4N8OS
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| Molecular Weight |
552.945
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| Canonical SMILES |
Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2cnc(N3CCC(CC3)c3nnn[nH]3)c(Cl)c2)n1
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| InChI |
InChI=1S/C22H17ClF4N8OS/c23-15-8-12(9-28-19(15)35-6-4-11(5-7-35)18-31-33-34-32-18)20(36)30-21-29-16(10-37-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H,29,30,36)(H,31,32,33,34)
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| InChIKey |
QSAAXTJADFMFKY-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