General Information of the Compound
| Compound ID |
CP0019908
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| Compound Name |
BDBM50242742
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| Synonyms |
5-Chloro-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-pyrimidinediamine
5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine
761439-42-3
C30H40ClN7O3S
CHEMBL509032
EH1713MN4K
NVP-TAE 684
NVP-TAE684
TAE 684
TAE-684
TAE684
TAE684 (NVP-TAE684)
UNII-EH1713MN4K
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| Structure |
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| Formula |
C30H40ClN7O3S
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| Molecular Weight |
614.216
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
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| InChI |
InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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| InChIKey |
QQWUGDVOUVUTOY-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: PT01203, ALK tyrosine kinase receptor
Protein ID: PT06841, 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: PT01028, Ephrin type-B receptor 4
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01343, Fibroblast growth factor receptor 4
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT01101, Insulin receptor
Protein ID: PT04920, Insulin receptor
Protein ID: PT02470, Lysine--tRNA ligase
Protein ID: PT00933, Macrophage-stimulating protein receptor
Protein ID: PT01540, Non-receptor tyrosine-protein kinase TYK2
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: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00875, Tyrosine-protein kinase Lyn
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000300 | Karpas-299 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2 nM
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TI
LI
LO
TS
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Clinical Information about the Compound