General Information of the Compound
| Compound ID |
CP0539258
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C21H17ClF3N3O3
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| Molecular Weight |
451.832
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C21H17ClF3N3O3/c1-12(13-5-6-17-18(7-13)31-11-30-17)20(29)26-10-16-9-19(21(23,24)25)27-28(16)15-4-2-3-14(22)8-15/h2-9,12H,10-11H2,1H3,(H,26,29)
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| InChIKey |
JSYWPVYDHGFCAX-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