General Information of the Compound
| Compound ID |
CP0473306
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| Compound Name |
2-(6-aminohexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
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| Structure |
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| Formula |
C17H24N6S
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| Molecular Weight |
344.488
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| Canonical SMILES |
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1
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| InChI |
InChI=1S/C17H24N6S/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-19)24-8-6-4-3-5-7-18/h9-10H,3-8,18H2,1-2H3,(H2,20,21,22,23)
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| InChIKey |
LLPSKEYVKZRCJJ-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