General Information of the Compound
| Compound ID |
CP0469410
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| Compound Name |
methyl 4-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
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| Structure |
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| Formula |
C43H47N3O8
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| Molecular Weight |
733.862
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| Canonical SMILES |
COCCOCCOCCOc1cc2CN(CCc3ccc(cc3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC
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| InChI |
InChI=1S/C43H47N3O8/c1-49-20-21-52-22-23-53-24-25-54-41-28-35-29-46(19-17-34(35)27-40(41)50-2)18-16-30-8-10-31(11-9-30)33-12-14-36(43(48)51-3)39(26-33)45-42(47)38-15-13-32-6-4-5-7-37(32)44-38/h4-15,26-28H,16-25,29H2,1-3H3,(H,45,47)
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| InChIKey |
JFTHETYASCLEPQ-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