General Information of the Compound
| Compound ID |
CP0464235
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| Compound Name |
3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
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| Structure |
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| Formula |
C28H25ClN2O5S
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| Molecular Weight |
537.037
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| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(cc(c1)C(O)=O)N1CCCS1(=O)=O
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| InChI |
InChI=1S/C28H25ClN2O5S/c1-19-8-10-26(25-16-22(29)9-11-27(25)36-18-20-6-3-2-4-7-20)31(19)24-15-21(28(32)33)14-23(17-24)30-12-5-13-37(30,34)35/h2-4,6-11,14-17H,5,12-13,18H2,1H3,(H,32,33)
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| InChIKey |
ZLTVZRPANFTWRK-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