General Information of the Compound
| Compound ID |
CP0487564
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| Compound Name |
N-[[2-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)propanamide
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| Structure |
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| Formula |
C23H20F5N3O
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| Molecular Weight |
449.423
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccc(F)c(F)c1)C(F)(F)F)c1ccc2CCCc2c1
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| InChI |
InChI=1S/C23H20F5N3O/c1-13(15-6-5-14-3-2-4-16(14)9-15)22(32)29-12-18-11-21(23(26,27)28)30-31(18)17-7-8-19(24)20(25)10-17/h5-11,13H,2-4,12H2,1H3,(H,29,32)
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| InChIKey |
GQSCLRVRHGLOQV-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