General Information of the Compound
| Compound ID |
CP0475524
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| Compound Name |
bis[(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C35H34Cl2N2O5
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| Molecular Weight |
633.572
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| Canonical SMILES |
COc1cc2CCN([C@@H](c3ccccc3Cl)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl
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| InChI |
InChI=1S/C35H34Cl2N2O5/c1-41-29-17-21-13-15-38(33(25(21)19-31(29)43-3)23-9-5-7-11-27(23)36)35(40)39-16-14-22-18-30(42-2)32(44-4)20-26(22)34(39)24-10-6-8-12-28(24)37/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1
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| InChIKey |
MNPBKGIEHGWVLP-HEVIKAOCSA-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