General Information of the Compound
| Compound ID |
CP0530743
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| Compound Name |
[(1S)-6,7-dimethoxy-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-[(1R)-6,7-dimethoxy-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C37H34F6N2O5
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| Molecular Weight |
700.676
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| Canonical SMILES |
COc1cc2CCN([C@@H](c3ccc(cc3)C(F)(F)F)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C37H34F6N2O5/c1-47-29-17-23-13-15-44(33(27(23)19-31(29)49-3)21-5-9-25(10-6-21)36(38,39)40)35(46)45-16-14-24-18-30(48-2)32(50-4)20-28(24)34(45)22-7-11-26(12-8-22)37(41,42)43/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34+
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| InChIKey |
MXSCGWZPBUHIHY-AQOUDTPCSA-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