General Information of the Compound
| Compound ID |
CP0424068
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| Compound Name |
4-[[[4-(6-methylpyridin-2-yl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzonitrile
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| Structure |
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| Formula |
C23H17N7S
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| Molecular Weight |
423.505
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| Canonical SMILES |
Cc1cccc(n1)-c1nc(NCc2ccc(cc2)C#N)sc1-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C23H17N7S/c1-15-3-2-4-19(28-15)21-22(18-9-10-20-26-14-27-30(20)13-18)31-23(29-21)25-12-17-7-5-16(11-24)6-8-17/h2-10,13-14H,12H2,1H3,(H,25,29)
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| InChIKey |
PRPWREAEINLLOR-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