General Information of the Compound
| Compound ID |
CP0417519
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| Compound Name |
methyl 4-[4-[[7-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-2-(quinoline-6-carbonylamino)benzoate
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| Structure |
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| Formula |
C42H45N3O8
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| Molecular Weight |
719.835
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| Canonical SMILES |
COCCOCCOCCOc1cc2CCN(Cc3ccc(cc3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)Cc2cc1OC
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| InChI |
InChI=1S/C42H45N3O8/c1-48-17-18-51-19-20-52-21-22-53-40-25-32-14-16-45(28-35(32)26-39(40)49-2)27-29-6-8-30(9-7-29)31-10-12-36(42(47)50-3)38(24-31)44-41(46)34-11-13-37-33(23-34)5-4-15-43-37/h4-13,15,23-26H,14,16-22,27-28H2,1-3H3,(H,44,46)
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| InChIKey |
AJXVQXUPENYTDG-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