General Information of the Compound
| Compound ID |
CP0094938
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| Compound Name |
(1R)-N-(3-cyanophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C24H18F3N3O
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| Molecular Weight |
421.422
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@H]1N(CCc2ccccc12)C(=O)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C24H18F3N3O/c25-24(26,27)19-10-8-18(9-11-19)22-21-7-2-1-5-17(21)12-13-30(22)23(31)29-20-6-3-4-16(14-20)15-28/h1-11,14,22H,12-13H2,(H,29,31)/t22-/m1/s1
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| InChIKey |
JVMVEQNAOBKHGV-JOCHJYFZSA-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