General Information of the Compound
| Compound ID |
CP0436869
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitrobenzamide
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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 |
COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4[N+]([O-])=O)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C28H31N3O7/c1-35-24-13-19-10-12-30(17-20(19)14-25(24)36-2)11-9-18-5-7-21(8-6-18)29-28(32)22-15-26(37-3)27(38-4)16-23(22)31(33)34/h5-8,13-16H,9-12,17H2,1-4H3,(H,29,32)
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| InChIKey |
OZTAZMFFYFNCJK-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2