General Information of the Compound
| Compound ID |
CP0566700
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| Compound Name |
N-[1-[[5-tert-butyl-1-(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 |
C21H25F4N5O2
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| Molecular Weight |
455.456
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| Canonical SMILES |
CC(C)(C)c1nc(NC(=O)C(C)(C)NC(=O)C2(CC2)C(F)(F)F)nn1-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H25F4N5O2/c1-18(2,3)14-26-17(29-30(14)13-8-6-12(22)7-9-13)27-15(31)19(4,5)28-16(32)20(10-11-20)21(23,24)25/h6-9H,10-11H2,1-5H3,(H,28,32)(H,27,29,31)
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| InChIKey |
WBGGCMUJJLXITR-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