General Information of the Compound
| Compound ID |
CP0402164
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| Compound Name |
N-[(1R,3S)-3-[[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]carbamoyl]cyclohexyl]-N-methyl-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H25F5N4O2
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| Molecular Weight |
472.458
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| Canonical SMILES |
CN([C@@H]1CCC[C@@H](C1)C(=O)Nc1c(C)ncn1CC(F)F)C(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H25F5N4O2/c1-13-19(31(12-28-13)11-18(23)24)29-20(32)14-5-4-8-17(10-14)30(2)21(33)15-6-3-7-16(9-15)22(25,26)27/h3,6-7,9,12,14,17-18H,4-5,8,10-11H2,1-2H3,(H,29,32)/t14-,17+/m0/s1
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| InChIKey |
CJCYGDVVVGHFDW-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