General Information of the Compound
| Compound ID |
CP0494532
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| Compound Name |
bis[(1S)-6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C35H34N4O9
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| Molecular Weight |
654.676
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| Canonical SMILES |
COc1cc2CCN([C@@H](c3cccc(c3)[N+]([O-])=O)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C35H34N4O9/c1-45-29-17-21-11-13-36(33(27(21)19-31(29)47-3)23-7-5-9-25(15-23)38(41)42)35(40)37-14-12-22-18-30(46-2)32(48-4)20-28(22)34(37)24-8-6-10-26(16-24)39(43)44/h5-10,15-20,33-34H,11-14H2,1-4H3/t33-,34-/m0/s1
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| InChIKey |
ZWWIUKUIUNUNMN-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