General Information of the Compound
| Compound ID |
CP0497740
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| Compound Name |
4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C23H23N3O4
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| Molecular Weight |
405.454
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C23H23N3O4/c1-28-18-11-20(29-2)23-19(27)13-22(30-21(23)12-18)26-9-7-25(8-10-26)15-17-5-3-16(14-24)4-6-17/h3-6,11-13H,7-10,15H2,1-2H3
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| InChIKey |
VYJOKCBNDLDJEC-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