General Information of the Compound
| Compound ID |
CP0369137
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| Compound Name |
(1R)-N-tert-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C21H23F3N2O
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| Molecular Weight |
376.422
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| Canonical SMILES |
CC(C)(C)NC(=O)N1CCc2ccccc2[C@H]1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N2O/c1-20(2,3)25-19(27)26-13-12-14-6-4-5-7-17(14)18(26)15-8-10-16(11-9-15)21(22,23)24/h4-11,18H,12-13H2,1-3H3,(H,25,27)/t18-/m1/s1
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| InChIKey |
JISPWJVBLUILMZ-GOSISDBHSA-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