General Information of the Compound
| Compound ID |
CP0556319
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| Compound Name |
5-hydroxy-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C15H14N4O2S
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| Molecular Weight |
314.37
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| Canonical SMILES |
Oc1cc(cnc1-c1nc(CC(=O)N2CCCC2)cs1)C#N
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| InChI |
InChI=1S/C15H14N4O2S/c16-7-10-5-12(20)14(17-8-10)15-18-11(9-22-15)6-13(21)19-3-1-2-4-19/h5,8-9,20H,1-4,6H2
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| InChIKey |
BYDZAAIFYAJBBM-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