General Information of the Compound
| Compound ID |
CP0382011
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| Compound Name |
N-[5-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-2-methoxyphenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C37H36N4O5
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| Molecular Weight |
616.718
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| Canonical SMILES |
COc1ccc(cc1NC(=O)c1cnc2ccccc2c1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C37H36N4O5/c1-44-33-13-10-27(19-32(33)40-37(43)28-18-26-6-4-5-7-31(26)38-22-28)36(42)39-30-11-8-24(9-12-30)14-16-41-17-15-25-20-34(45-2)35(46-3)21-29(25)23-41/h4-13,18-22H,14-17,23H2,1-3H3,(H,39,42)(H,40,43)
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| InChIKey |
YMPHEXNZJFTXKP-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