General Information of the Compound
| Compound ID |
CP0419769
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| Compound Name |
4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-propan-2-ylbenzamide
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| Structure |
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| Formula |
C22H21F3N2OS
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| Molecular Weight |
418.484
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| Canonical SMILES |
CC(C)c1cc(ccc1C(N)=O)-c1sc(Cc2cccc(c2)C(F)(F)F)nc1C
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| InChI |
InChI=1S/C22H21F3N2OS/c1-12(2)18-11-15(7-8-17(18)21(26)28)20-13(3)27-19(29-20)10-14-5-4-6-16(9-14)22(23,24)25/h4-9,11-12H,10H2,1-3H3,(H2,26,28)
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| InChIKey |
NSNARISKMPVURO-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