General Information of the Compound
| Compound ID |
CP0448142
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| Compound Name |
5,7-dimethoxy-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]chromen-4-one
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| Structure |
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| Formula |
C23H26N2O5
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| Molecular Weight |
410.47
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
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| InChI |
InChI=1S/C23H26N2O5/c1-27-17-6-4-16(5-7-17)15-24-8-10-25(11-9-24)22-14-19(26)23-20(29-3)12-18(28-2)13-21(23)30-22/h4-7,12-14H,8-11,15H2,1-3H3
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| InChIKey |
ZTNOEZFOSGUDDA-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