General Information of the Compound
| Compound ID |
CP0426765
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| Compound Name |
7-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]-3,4-dimethylchromen-2-one
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| Structure |
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| Formula |
C25H29NO3
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| Molecular Weight |
391.511
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| Canonical SMILES |
Cc1c(C)c(=O)oc2cc(OCCCCCN3CCc4ccccc4C3)ccc12
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| InChI |
InChI=1S/C25H29NO3/c1-18-19(2)25(27)29-24-16-22(10-11-23(18)24)28-15-7-3-6-13-26-14-12-20-8-4-5-9-21(20)17-26/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3
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| InChIKey |
AORLPWHDMMBIES-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