General Information of the Compound
| Compound ID |
CP0558714
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| Compound Name |
2-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C25H26F3N3O
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| Molecular Weight |
441.497
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccc(C)c(C)c1)C(F)(F)F)c1ccc2CCCc2c1
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| InChI |
InChI=1S/C25H26F3N3O/c1-15-7-10-21(11-16(15)2)31-22(13-23(30-31)25(26,27)28)14-29-24(32)17(3)19-9-8-18-5-4-6-20(18)12-19/h7-13,17H,4-6,14H2,1-3H3,(H,29,32)
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| InChIKey |
WRRKLKNFXFQNIW-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