General Information of the Compound
| Compound ID |
CP0536366
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| Compound Name |
N-[1-[[1,5-bis(4-fluorophenyl)-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 |
C23H20F5N5O2
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| Molecular Weight |
493.436
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| Canonical SMILES |
CC(C)(NC(=O)C1(CC1)C(F)(F)F)C(=O)Nc1nc(-c2ccc(F)cc2)n(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H20F5N5O2/c1-21(2,31-19(35)22(11-12-22)23(26,27)28)18(34)30-20-29-17(13-3-5-14(24)6-4-13)33(32-20)16-9-7-15(25)8-10-16/h3-10H,11-12H2,1-2H3,(H,31,35)(H,30,32,34)
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| InChIKey |
FHONMXXMJLOINN-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