General Information of the Compound
| Compound ID |
CP0422913
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| Compound Name |
[2-(diacetylamino)-6-(4-methoxyphenyl)-3-thiophen-2-yl-1-benzofuran-4-yl] acetate
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| Formula |
C25H21NO6S
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| Molecular Weight |
463.511
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O
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| InChI |
InChI=1S/C25H21NO6S/c1-14(27)26(15(2)28)25-24(22-6-5-11-33-22)23-20(31-16(3)29)12-18(13-21(23)32-25)17-7-9-19(30-4)10-8-17/h5-13H,1-4H3
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| InChIKey |
BQDSZKNDEHZKOL-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
Cell-based Assay