General Information of the Compound
| Compound ID |
CP0483165
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| Compound Name |
5,7-dimethoxy-2-[4-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]chromen-4-one
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| Structure |
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| Formula |
C23H23F3N2O4S
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| Molecular Weight |
480.508
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C23H23F3N2O4S/c1-30-16-11-19(31-2)22-18(29)13-21(32-20(22)12-16)28-9-7-27(8-10-28)14-15-3-5-17(6-4-15)33-23(24,25)26/h3-6,11-13H,7-10,14H2,1-2H3
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| InChIKey |
NMYZIYGOQKSRJI-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