General Information of the Compound
| Compound ID |
CP0494530
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| Compound Name |
bis[(1S)-6,7-dimethoxy-1-[4-(4-nitrophenoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C47H42N4O11
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| Molecular Weight |
838.87
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| Canonical SMILES |
COc1cc2CCN([C@@H](c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C47H42N4O11/c1-57-41-25-31-21-23-48(45(39(31)27-43(41)59-3)29-5-13-35(14-6-29)61-37-17-9-33(10-18-37)50(53)54)47(52)49-24-22-32-26-42(58-2)44(60-4)28-40(32)46(49)30-7-15-36(16-8-30)62-38-19-11-34(12-20-38)51(55)56/h5-20,25-28,45-46H,21-24H2,1-4H3/t45-,46-/m0/s1
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| InChIKey |
IYDYCRSCRZSJEV-ZYBCLOSLSA-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