General Information of the Compound
| Compound ID |
CP0382666
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| Compound Name |
(1R)-N-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C22H18F3N3O
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| Molecular Weight |
397.4
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@H]1N(CCc2ccccc12)C(=O)Nc1ccncc1
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| InChI |
InChI=1S/C22H18F3N3O/c23-22(24,25)17-7-5-16(6-8-17)20-19-4-2-1-3-15(19)11-14-28(20)21(29)27-18-9-12-26-13-10-18/h1-10,12-13,20H,11,14H2,(H,26,27,29)/t20-/m1/s1
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| InChIKey |
KYBFEYCXOMJKFZ-HXUWFJFHSA-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