General Information of the Compound
| Compound ID |
CP0531223
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| Compound Name |
N-[5-[1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]triazol-4-yl]-2-propanoylphenyl]-6-oxo-1H-pyridine-2-carboxamide
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| Formula |
C36H36N6O5
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| Molecular Weight |
632.721
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| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1cccc(O)n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C36H36N6O5/c1-4-32(43)28-13-10-25(18-30(28)38-36(45)29-6-5-7-35(44)37-29)31-22-42(40-39-31)27-11-8-23(9-12-27)14-16-41-17-15-24-19-33(46-2)34(47-3)20-26(24)21-41/h5-13,18-20,22H,4,14-17,21H2,1-3H3,(H,37,44)(H,38,45)
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| InChIKey |
QIFVCEARKRPLAN-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