General Information of the Compound
| Compound ID |
CP0487605
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[2-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C21H16ClF4N3O3
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| Molecular Weight |
469.822
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C21H16ClF4N3O3/c1-11(12-2-5-17-18(6-12)32-10-31-17)20(30)27-9-14-8-19(21(24,25)26)28-29(14)13-3-4-16(23)15(22)7-13/h2-8,11H,9-10H2,1H3,(H,27,30)
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| InChIKey |
CTYFRFNCCUAYJO-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