General Information of the Compound
| Compound ID |
CP0421864
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| Compound Name |
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C23H25NO3
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| Molecular Weight |
363.457
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| Canonical SMILES |
Cc1c(C)c(=O)oc2cc(OCCCN3CCc4ccccc4C3)ccc12
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| InChI |
InChI=1S/C23H25NO3/c1-16-17(2)23(25)27-22-14-20(8-9-21(16)22)26-13-5-11-24-12-10-18-6-3-4-7-19(18)15-24/h3-4,6-9,14H,5,10-13,15H2,1-2H3
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| InChIKey |
CACNJUZLFSDMHF-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