General Information of the Compound
| Compound ID |
CP0426766
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| Compound Name |
7-[[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C30H31NO5
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| Molecular Weight |
485.58
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(COc4ccc5c(C)c(C)c(=O)oc5c4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C30H31NO5/c1-19-20(2)30(32)36-27-15-25(9-10-26(19)27)35-18-22-7-5-21(6-8-22)16-31-12-11-23-13-28(33-3)29(34-4)14-24(23)17-31/h5-10,13-15H,11-12,16-18H2,1-4H3
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| InChIKey |
CPPMZZSHAZCFJY-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: PT02516, Multidrug resistance-associated protein 1