General Information of the Compound
| Compound ID |
CP0555013
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| Compound Name |
3-[3-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-(1,1-dioxothietan-3-yl)acetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C26H25ClN2O5S
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| Molecular Weight |
513.015
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CS(=O)(=O)C1)c1ccc(cc1)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C26H25ClN2O5S/c1-16-17(9-10-24(30)31)3-2-4-23(16)29-26(32)25(21-14-35(33,34)15-21)19-7-5-18(6-8-19)20-11-22(27)13-28-12-20/h2-8,11-13,21,25H,9-10,14-15H2,1H3,(H,29,32)(H,30,31)
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| InChIKey |
KHRCLIDZFKMZQG-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