General Information of the Compound
| Compound ID |
CP0405386
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| Compound Name |
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C27H25N3O
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| Molecular Weight |
407.517
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| Canonical SMILES |
O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C27H25N3O/c31-27(24-17-22-6-3-4-8-26(22)28-18-24)29-25-11-9-20(10-12-25)13-15-30-16-14-21-5-1-2-7-23(21)19-30/h1-12,17-18H,13-16,19H2,(H,29,31)
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| InChIKey |
QEJZMMQJUXSSHX-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