General Information of the Compound
| Compound ID |
CP0552746
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| Compound Name |
5-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3,4-thiadiazole-2-carboxamide
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| Formula |
C23H26N8OS
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| Molecular Weight |
462.583
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)c1nnc(s1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
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| InChI |
InChI=1S/C23H26N8OS/c1-14-10-15(18-8-9-24-22(28-18)27-17-12-26-31(5)13-17)6-7-16(14)11-25-19(32)20-29-30-21(33-20)23(2,3)4/h6-10,12-13H,11H2,1-5H3,(H,25,32)(H,24,27,28)
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| InChIKey |
CQNINIIWBBPWIR-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