General Information of the Compound
| Compound ID |
CP0121654
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| Compound Name |
N-[(1R,3S)-3-[(3,5-dimethylimidazol-4-yl)carbamoyl]cyclohexyl]-N-methyl-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H25F3N4O2
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| Molecular Weight |
422.451
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| Canonical SMILES |
CN([C@@H]1CCC[C@@H](C1)C(=O)Nc1c(C)ncn1C)C(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F3N4O2/c1-13-18(27(2)12-25-13)26-19(29)14-6-5-9-17(11-14)28(3)20(30)15-7-4-8-16(10-15)21(22,23)24/h4,7-8,10,12,14,17H,5-6,9,11H2,1-3H3,(H,26,29)/t14-,17+/m0/s1
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| InChIKey |
ODVLIKAJGRPFQZ-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