General Information of the Compound
| Compound ID |
CP0535085
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| Compound Name |
2-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C26H31F3N2O
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| Molecular Weight |
444.541
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCC(C)CC1)C(F)(F)F)c1ccc2CCCc2c1
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| InChI |
InChI=1S/C26H31F3N2O/c1-17-10-12-31(13-11-17)24-15-23(26(27,28)29)9-8-22(24)16-30-25(32)18(2)20-7-6-19-4-3-5-21(19)14-20/h6-9,14-15,17-18H,3-5,10-13,16H2,1-2H3,(H,30,32)
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| InChIKey |
VLEWJNFKWRZHGB-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