General Information of the Compound
| Compound ID |
CP0507865
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| Compound Name |
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C22H19N5OS
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| Molecular Weight |
401.495
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| Canonical SMILES |
Cc1ccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c(C)c1
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| InChI |
InChI=1S/C22H19N5OS/c1-14-3-8-18(15(2)11-14)19-12-29-22(26-19)27-21(28)16-4-6-17(7-5-16)25-20-9-10-23-13-24-20/h3-13H,1-2H3,(H,23,24,25)(H,26,27,28)
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| InChIKey |
VLVJYJNBPYAETJ-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