General Information of the Compound
| Compound ID |
CP0578999
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| Compound Name |
2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
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| Formula |
C25H26N6OS
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| Molecular Weight |
458.591
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2ccncc2)n1
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| InChI |
InChI=1S/C25H26N6OS/c1-16-13-17(20-9-12-27-24(31-20)30-19-7-10-26-11-8-19)5-6-18(16)14-28-22(32)21-15-29-23(33-21)25(2,3)4/h5-13,15H,14H2,1-4H3,(H,28,32)(H,26,27,30,31)
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| InChIKey |
MNTGVTWPXKMJCQ-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