General Information of the Compound
| Compound ID |
CP0530742
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| Compound Name |
bis[(1R)-1-(2,4-dinitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C35H32N6O13
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| Molecular Weight |
744.67
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| Canonical SMILES |
COc1cc2CCN([C@H](c2cc1OC)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
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| InChI |
InChI=1S/C35H32N6O13/c1-51-29-13-19-9-11-36(33(25(19)17-31(29)53-3)23-7-5-21(38(43)44)15-27(23)40(47)48)35(42)37-12-10-20-14-30(52-2)32(54-4)18-26(20)34(37)24-8-6-22(39(45)46)16-28(24)41(49)50/h5-8,13-18,33-34H,9-12H2,1-4H3/t33-,34-/m0/s1
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| InChIKey |
DNBJXTARNBKGSJ-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