General Information of the Compound
| Compound ID |
CP0406173
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| Compound Name |
5,7-dimethoxy-2-[4-[2-(4-nitrophenyl)ethyl]piperazine-1-carbonyl]chromen-4-one
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| Structure |
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| Formula |
C24H25N3O7
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| Molecular Weight |
467.478
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C24H25N3O7/c1-32-18-13-20(33-2)23-19(28)15-22(34-21(23)14-18)24(29)26-11-9-25(10-12-26)8-7-16-3-5-17(6-4-16)27(30)31/h3-6,13-15H,7-12H2,1-2H3
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| InChIKey |
DFUWIPVIIHVPEV-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