General Information of the Compound
| Compound ID |
CP0038986
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| Compound Name |
2-(4-Piperazin-1-ylmethylpyridin-2-ylamino)thiazole-5-carbonitrile
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| Structure |
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| Formula |
C14H16N6S
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| Molecular Weight |
300.391
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| Canonical SMILES |
N#Cc1cnc(Nc2cc(CN3CCNCC3)ccn2)s1
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| InChI |
InChI=1S/C14H16N6S/c15-8-12-9-18-14(21-12)19-13-7-11(1-2-17-13)10-20-5-3-16-4-6-20/h1-2,7,9,16H,3-6,10H2,(H,17,18,19)
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| InChIKey |
LJXLOEHKZRKIIO-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