General Information of the Compound
| Compound ID |
CP0382325
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| Compound Name |
1-(5-butyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea
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| Structure |
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| Formula |
C27H33N9O2S
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| Molecular Weight |
547.689
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| Canonical SMILES |
CCCCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1
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| InChI |
InChI=1S/C27H33N9O2S/c1-4-5-6-21-15-24(34-38-21)32-26(37)31-20-9-7-19(8-10-20)22-17-28-27(39-22)33-23-16-25(30-18(2)29-23)36-13-11-35(3)12-14-36/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,28,29,30,33)(H2,31,32,34,37)
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| InChIKey |
QQHUJDHUHXTNQO-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