General Information of the Compound
| Compound ID |
CP0388621
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| Compound Name |
5,7-dimethoxy-2-[4-(4-nitrophenyl)piperazin-1-yl]chromen-4-one
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| Structure |
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| Formula |
C21H21N3O6
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| Molecular Weight |
411.414
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H21N3O6/c1-28-16-11-18(29-2)21-17(25)13-20(30-19(21)12-16)23-9-7-22(8-10-23)14-3-5-15(6-4-14)24(26)27/h3-6,11-13H,7-10H2,1-2H3
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| InChIKey |
TWOKPOAQVVUPSY-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1