General Information of the Compound
| Compound ID |
CP0422909
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| Compound Name |
[2-[(2-chlorobenzoyl)amino]-6-(4-methoxyphenyl)-3-thiophen-2-yl-1-benzofuran-4-yl] acetate
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| Formula |
C28H20ClNO5S
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| Molecular Weight |
517.99
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1
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| InChI |
InChI=1S/C28H20ClNO5S/c1-16(31)34-22-14-18(17-9-11-19(33-2)12-10-17)15-23-25(22)26(24-8-5-13-36-24)28(35-23)30-27(32)20-6-3-4-7-21(20)29/h3-15H,1-2H3,(H,30,32)
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| InChIKey |
NVHVRYUFNCFLGC-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