General Information of the Compound
| Compound ID |
CP0433316
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| Compound Name |
5,7-dimethoxy-2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]chromen-4-one
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| Structure |
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| Formula |
C23H25N3O6
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| Molecular Weight |
439.468
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C23H25N3O6/c1-30-18-13-20(31-2)23-19(27)15-22(32-21(23)14-18)25-11-9-24(10-12-25)8-7-16-3-5-17(6-4-16)26(28)29/h3-6,13-15H,7-12H2,1-2H3
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| InChIKey |
GUOUAMXYOJDXCN-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
Protein ID: PT02516, Multidrug resistance-associated protein 1