General Information of the Compound
| Compound ID |
CP0870287
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| Compound Name |
N-((1R,3S)-3-(5-(1-(2,2-difluoroethyl)-4-methyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl)cyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H25F5N6O
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| Molecular Weight |
496.484
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| Canonical SMILES |
Cc1ncn(CC(F)F)c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]1
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| InChI |
InChI=1S/C23H25F5N6O/c1-13-19(34(12-29-13)11-18(24)25)21-30-20(31-32-21)14-5-4-8-17(10-14)33(2)22(35)15-6-3-7-16(9-15)23(26,27)28/h3,6-7,9,12,14,17-18H,4-5,8,10-11H2,1-2H3,(H,30,31,32)/t14-,17+/m0/s1
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| InChIKey |
OGSWCIPCMCTXTK-WMLDXEAASA-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