General Information of the Compound
| Compound ID |
CP0420106
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| Compound Name |
N-[1-[[1-(4-fluorophenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-triazol-3-yl]amino]-2-methyl-1-oxopropan-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C26H26F5N5O2
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| Molecular Weight |
535.517
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| Canonical SMILES |
CC(C)(NC(=O)C1(CC1)C(F)(F)F)C(=O)Nc1nc(n(n1)-c1ccc(F)cc1)C(C)(C)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H26F5N5O2/c1-23(2,15-5-7-16(27)8-6-15)19-32-22(35-36(19)18-11-9-17(28)10-12-18)33-20(37)24(3,4)34-21(38)25(13-14-25)26(29,30)31/h5-12H,13-14H2,1-4H3,(H,34,38)(H,33,35,37)
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| InChIKey |
MOASSYGDODTDOS-UHFFFAOYSA-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