General Information of the Compound
| Compound ID |
CP0965850
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| Compound Name |
N-methyl-N-((1R,3S)-3-(5-(4-methyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl)cyclohexyl)-3-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C21H23F3N6O2
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| Molecular Weight |
448.449
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| Canonical SMILES |
Cc1nc[nH]c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(OC(F)(F)F)c3)C2)[nH]1
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| InChI |
InChI=1S/C21H23F3N6O2/c1-12-17(26-11-25-12)19-27-18(28-29-19)13-5-3-7-15(9-13)30(2)20(31)14-6-4-8-16(10-14)32-21(22,23)24/h4,6,8,10-11,13,15H,3,5,7,9H2,1-2H3,(H,25,26)(H,27,28,29)/t13-,15+/m0/s1
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| InChIKey |
UZQRDBOVKHURAR-DZGCQCFKSA-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