General Information of the Compound
| Compound ID |
CP0434206
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| Compound Name |
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-1,3-dihydroindol-2-one
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| Structure |
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| Formula |
C37H39N3O5
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| Molecular Weight |
605.735
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc4NC(=O)C(N5CCc6cc(OC)c(OC)cc6C5)c4c3)Cc2cc1OC
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| InChI |
InChI=1S/C37H39N3O5/c1-42-32-16-26-11-13-39(21-28(26)18-34(32)44-3)20-23-5-7-24(8-6-23)25-9-10-31-30(15-25)36(37(41)38-31)40-14-12-27-17-33(43-2)35(45-4)19-29(27)22-40/h5-10,15-19,36H,11-14,20-22H2,1-4H3,(H,38,41)
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| InChIKey |
JGNNWOOKUPBSON-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