General Information of the Compound
| Compound ID |
CP0046151
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| Compound Name |
2-(6-(piperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
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| Structure |
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| Formula |
C12H13N7S
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| Molecular Weight |
287.352
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| Canonical SMILES |
N#Cc1cnc(Nc2cc(ncn2)N2CCNCC2)s1
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| InChI |
InChI=1S/C12H13N7S/c13-6-9-7-15-12(20-9)18-10-5-11(17-8-16-10)19-3-1-14-2-4-19/h5,7-8,14H,1-4H2,(H,15,16,17,18)
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| InChIKey |
LTSAIVCADIPFKF-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