General Information of the Compound
| Compound ID |
CP0556299
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| Compound Name |
2-[[2-[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
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| Structure |
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| Formula |
C15H14N4O4S
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| Molecular Weight |
346.368
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| Canonical SMILES |
CC(C)(NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)C(O)=O
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| InChI |
InChI=1S/C15H14N4O4S/c1-15(2,14(22)23)19-11(21)4-9-7-24-13(18-9)12-10(20)3-8(5-16)6-17-12/h3,6-7,20H,4H2,1-2H3,(H,19,21)(H,22,23)
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| InChIKey |
BUUJRGRVHGEKRK-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