General Information of the Compound
| Compound ID |
CP0661487
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| Compound Name |
3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea monophosphate
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| Structure |
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| Formula |
C26H34Cl2N7O7P
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| Molecular Weight |
658.48
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| Canonical SMILES |
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1.O=P(O)(O)O
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| InChI |
InChI=1S/C26H31Cl2N7O3.H3O4P/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;1-5(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);(H3,1,2,3,4)
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| InChIKey |
GUQNHCGYHLSITB-UHFFFAOYSA-N
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| CAS |
1310746-10-1
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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: PT01203, ALK tyrosine kinase receptor
Protein ID: PT00883, Angiopoietin-1 receptor
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT02172, Ephrin type-B receptor 1
Protein ID: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01115, Fibroblast growth factor receptor 2
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01343, Fibroblast growth factor receptor 4
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT01101, Insulin receptor
Protein ID: PT00933, Macrophage-stimulating protein receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01540, Non-receptor tyrosine-protein kinase TYK2
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT01061, Proto-oncogene tyrosine-protein kinase ROS
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00875, Tyrosine-protein kinase Lyn
Protein ID: PT01441, Tyrosine-protein kinase SYK
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Protein ID: PT00925, Vascular endothelial growth factor receptor 3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000996 | RT-4 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 30 nM
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TI
LI
LO
TS
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