General Information of the Compound
| Compound ID |
CP0422908
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| Compound Name |
[6-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]-3-thiophen-2-yl-1-benzofuran-4-yl] acetate
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| Formula |
C29H23NO5S
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| Molecular Weight |
497.572
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1
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| InChI |
InChI=1S/C29H23NO5S/c1-17-7-4-5-8-22(17)28(32)30-29-27(25-9-6-14-36-25)26-23(34-18(2)31)15-20(16-24(26)35-29)19-10-12-21(33-3)13-11-19/h4-16H,1-3H3,(H,30,32)
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| InChIKey |
KFIFBXUHWWIHKN-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