General Information of the Compound
| Compound ID |
CP0489967
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| Compound Name |
bis[(1R)-6,7-dimethoxy-1-[6-(3-nitrophenyl)pyridin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C45H40N6O9
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| Molecular Weight |
808.848
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| Canonical SMILES |
COc1cc2CCN([C@@H](c3cccc(n3)-c3cccc(c3)[N+]([O-])=O)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(n1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C45H40N6O9/c1-57-39-23-27-17-19-48(43(33(27)25-41(39)59-3)37-15-7-13-35(46-37)29-9-5-11-31(21-29)50(53)54)45(52)49-20-18-28-24-40(58-2)42(60-4)26-34(28)44(49)38-16-8-14-36(47-38)30-10-6-12-32(22-30)51(55)56/h5-16,21-26,43-44H,17-20H2,1-4H3/t43-,44-/m1/s1
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| InChIKey |
FNMIXCZHJOIPPD-NDOUMJCMSA-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