General Information of the Compound
| Compound ID |
CP0565048
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| Compound Name |
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C24H27N7OS
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| Molecular Weight |
461.595
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ccnc(Nc2ccn(C)n2)n1
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| InChI |
InChI=1S/C24H27N7OS/c1-15-12-16(18-8-10-25-23(28-18)29-20-9-11-31(5)30-20)6-7-17(15)13-26-21(32)19-14-27-22(33-19)24(2,3)4/h6-12,14H,13H2,1-5H3,(H,26,32)(H,25,28,29,30)
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| InChIKey |
ILRURZBRPBCUGK-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