General Information of the Compound
| Compound ID |
CP0059956
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| Compound Name |
2-(6-(4-acetylpiperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
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| Structure |
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| Formula |
C14H15N7OS
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| Molecular Weight |
329.389
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C#N)ncn1
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| InChI |
InChI=1S/C14H15N7OS/c1-10(22)20-2-4-21(5-3-20)13-6-12(17-9-18-13)19-14-16-8-11(7-15)23-14/h6,8-9H,2-5H2,1H3,(H,16,17,18,19)
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| InChIKey |
YXOCOTDGBVGRJE-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