General Information of the Compound
| Compound ID |
CP0914179
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| Compound Name |
N-((2S,4R)-2-(5-(1-cyclobutyl-4-methyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl)tetrahydro-2H-pyran-4-yl)-N-methyl-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H27F3N6O2
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| Molecular Weight |
488.514
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| Canonical SMILES |
Cc1ncn(C2CCC2)c1-c1nnc([C@@H]2C[C@H](N(C)C(=O)c3cccc(C(F)(F)F)c3)CCO2)[nH]1
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| InChI |
InChI=1S/C24H27F3N6O2/c1-14-20(33(13-28-14)17-7-4-8-17)22-29-21(30-31-22)19-12-18(9-10-35-19)32(2)23(34)15-5-3-6-16(11-15)24(25,26)27/h3,5-6,11,13,17-19H,4,7-10,12H2,1-2H3,(H,29,30,31)/t18-,19+/m1/s1
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| InChIKey |
PIEVXNJSXLPQBC-MOPGFXCFSA-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