General Information of the Compound
| Compound ID |
CP0381232
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| Compound Name |
1-[[4-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
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| Structure |
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| Formula |
C25H30N10O2
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| Molecular Weight |
502.583
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(C)on3)cc2)nc(C)n1
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| InChI |
InChI=1S/C25H30N10O2/c1-16-12-23(33-37-16)30-25(36)26-15-18-4-6-19(7-5-18)20-13-22(32-31-20)29-21-14-24(28-17(2)27-21)35-10-8-34(3)9-11-35/h4-7,12-14H,8-11,15H2,1-3H3,(H2,26,30,33,36)(H2,27,28,29,31,32)
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| InChIKey |
RUZPCSRYDHCWLB-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2