General Information of the Compound
| Compound ID |
CP0556675
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| Compound Name |
N-(2,6-dimethylpyridin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C25H25FN6S
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| Molecular Weight |
460.582
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| Canonical SMILES |
Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc(C)n1
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| InChI |
InChI=1S/C25H25FN6S/c1-15-13-20(14-16(2)29-15)30-25-28-12-9-21(31-25)23-22(17-3-5-19(26)6-4-17)32-24(33-23)18-7-10-27-11-8-18/h3-6,9,12-14,18,27H,7-8,10-11H2,1-2H3,(H,28,29,30,31)
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| InChIKey |
GPDUVAKRPQOLEA-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