General Information of the Compound
| Compound ID |
CP0490015
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| Compound Name |
1-[[4-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-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 |
C26H32N10O3
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| Molecular Weight |
532.609
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| Canonical SMILES |
Cc1cc(NC(=O)NCc2ccc(cc2)-c2cc(Nc3cc(nc(C)n3)N3CCN(CCO)CC3)[nH]n2)no1
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| InChI |
InChI=1S/C26H32N10O3/c1-17-13-24(34-39-17)31-26(38)27-16-19-3-5-20(6-4-19)21-14-23(33-32-21)30-22-15-25(29-18(2)28-22)36-9-7-35(8-10-36)11-12-37/h3-6,13-15,37H,7-12,16H2,1-2H3,(H2,27,31,34,38)(H2,28,29,30,32,33)
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| InChIKey |
JFOZUFLYZRDCRJ-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