General Information of the Compound
| Compound ID |
CP0394488
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| Compound Name |
methyl 4-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoate
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| Structure |
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| Formula |
C38H36N4O6
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| Molecular Weight |
644.728
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| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ncccc2c1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C38H36N4O6/c1-46-34-21-25-15-18-42(23-29(25)22-35(34)47-2)17-14-24-6-10-30(11-7-24)40-36(43)28-8-12-31(38(45)48-3)33(20-28)41-37(44)27-9-13-32-26(19-27)5-4-16-39-32/h4-13,16,19-22H,14-15,17-18,23H2,1-3H3,(H,40,43)(H,41,44)
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| InChIKey |
WDTJXSRPRRUIIV-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