General Information of the Compound
| Compound ID |
CP0390465
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| Compound Name |
methyl 4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzoate
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| Structure |
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| Formula |
C24H26N2O6
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| Molecular Weight |
438.48
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| Canonical SMILES |
COC(=O)c1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
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| InChI |
InChI=1S/C24H26N2O6/c1-29-18-12-20(30-2)23-19(27)14-22(32-21(23)13-18)26-10-8-25(9-11-26)15-16-4-6-17(7-5-16)24(28)31-3/h4-7,12-14H,8-11,15H2,1-3H3
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| InChIKey |
HANSEPRZPQCWFR-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