General Information of the Compound
| Compound ID |
CP0390463
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| Compound Name |
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-5,7-dimethoxychromen-4-one
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| Structure |
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| Formula |
C22H22F2N2O4
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| Molecular Weight |
416.424
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(F)c(F)c2)CC1
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| InChI |
InChI=1S/C22H22F2N2O4/c1-28-15-10-19(29-2)22-18(27)12-21(30-20(22)11-15)26-7-5-25(6-8-26)13-14-3-4-16(23)17(24)9-14/h3-4,9-12H,5-8,13H2,1-2H3
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| InChIKey |
XOOYSFGSNQUGFW-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