General Information of the Compound
| Compound ID |
CP0420467
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C28H31N3O7
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| Molecular Weight |
521.57
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| Canonical SMILES |
COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2c2cccc(c2)[N+]([O-])=O)cc1OC
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| InChI |
InChI=1S/C28H31N3O7/c1-35-23-9-8-18(14-24(23)36-2)10-12-29-28(32)30-13-11-19-16-25(37-3)26(38-4)17-22(19)27(30)20-6-5-7-21(15-20)31(33)34/h5-9,14-17,27H,10-13H2,1-4H3,(H,29,32)
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| InChIKey |
XGISNJTVAIKNEQ-UHFFFAOYSA-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