General Information of the Compound
| Compound ID |
CP0539254
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| Compound Name |
2-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C22H19F4N3O
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| Molecular Weight |
417.406
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| Canonical SMILES |
Fc1ccc(cc1)-n1nc(cc1CNC(=O)Cc1ccc2CCCc2c1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F4N3O/c23-17-6-8-18(9-7-17)29-19(12-20(28-29)22(24,25)26)13-27-21(30)11-14-4-5-15-2-1-3-16(15)10-14/h4-10,12H,1-3,11,13H2,(H,27,30)
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| InChIKey |
WRRNUKAKPKPAIF-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