General Information of the Compound
| Compound ID |
CP0476265
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| Compound Name |
3-chloro-7-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]-4-methylchromen-2-one
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| Structure |
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| Formula |
C26H30ClNO5
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| Molecular Weight |
471.981
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| Canonical SMILES |
COc1cc2CCN(CCCCCOc3ccc4c(C)c(Cl)c(=O)oc4c3)Cc2cc1OC
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| InChI |
InChI=1S/C26H30ClNO5/c1-17-21-8-7-20(15-22(21)33-26(29)25(17)27)32-12-6-4-5-10-28-11-9-18-13-23(30-2)24(31-3)14-19(18)16-28/h7-8,13-15H,4-6,9-12,16H2,1-3H3
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| InChIKey |
NYPFUFIHNHZTTO-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