General Information of the Compound
| Compound ID |
CP0455202
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| Compound Name |
methyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-2-(quinoline-6-carbonylamino)benzoate
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| Structure |
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| Formula |
C34H29N3O3
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| Molecular Weight |
527.624
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| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ncccc2c1)-c1ccc(CN2CCc3ccccc3C2)cc1
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| InChI |
InChI=1S/C34H29N3O3/c1-40-34(39)30-14-12-26(20-32(30)36-33(38)28-13-15-31-27(19-28)7-4-17-35-31)25-10-8-23(9-11-25)21-37-18-16-24-5-2-3-6-29(24)22-37/h2-15,17,19-20H,16,18,21-22H2,1H3,(H,36,38)
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| InChIKey |
AKAMCNVSSDZPIJ-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