General Information of the Compound
| Compound ID |
CP0516648
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| Compound Name |
N-[[5-tert-butyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)propanamide
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| Structure |
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| Formula |
C27H30F3N3O2
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| Molecular Weight |
485.55
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccc(OC(F)(F)F)cc1)C(C)(C)C)c1ccc2CCCc2c1
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| InChI |
InChI=1S/C27H30F3N3O2/c1-17(19-9-8-18-6-5-7-20(18)14-19)25(34)31-16-22-15-24(26(2,3)4)32-33(22)21-10-12-23(13-11-21)35-27(28,29)30/h8-15,17H,5-7,16H2,1-4H3,(H,31,34)
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| InChIKey |
BCIUXWQLEJNQBS-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