General Information of the Compound
| Compound ID |
CP0533984
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| Compound Name |
N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C28H36N10O2
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| Molecular Weight |
544.664
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)n2)N2CCOCC2)[nH]n1
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| InChI |
InChI=1S/C28H36N10O2/c1-18-14-23(35-34-18)30-22-17-25(38-10-12-40-13-11-38)33-27(31-22)29-20-8-6-19(7-9-20)15-26(39)32-24-16-21(28(2,3)4)36-37(24)5/h6-9,14,16-17H,10-13,15H2,1-5H3,(H,32,39)(H3,29,30,31,33,34,35)
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| InChIKey |
QUMSQNWNSSISFC-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