General Information of the Compound
| Compound ID |
CP0373300
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3,4-dimethoxybenzamide
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C28H32N2O5/c1-32-24-10-7-21(16-25(24)33-2)28(31)29-23-8-5-19(6-9-23)11-13-30-14-12-20-15-26(34-3)27(35-4)17-22(20)18-30/h5-10,15-17H,11-14,18H2,1-4H3,(H,29,31)
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| InChIKey |
DFMNNXQUFBLCJT-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