General Information of the Compound
| Compound ID |
CP0552668
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| Compound Name |
quinolin-6-yl-[(1R)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C26H19F3N2O
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| Molecular Weight |
432.445
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@H]1N(CCc2ccccc12)C(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C26H19F3N2O/c27-26(28,29)21-10-7-18(8-11-21)24-22-6-2-1-4-17(22)13-15-31(24)25(32)20-9-12-23-19(16-20)5-3-14-30-23/h1-12,14,16,24H,13,15H2/t24-/m1/s1
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| InChIKey |
IPXVPPSJOCXDFQ-XMMPIXPASA-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