General Information of the Compound
| Compound ID |
CP0113988
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| Compound Name |
CEP-32496
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| Synonyms |
AB-024
B-RAF kinase inhibitors (melanoma), Ambit/Cephalon
CEP-32496
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| Structure |
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| Formula |
C24H22F3N5O5
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| Molecular Weight |
517.464
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
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| InChI |
InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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| InChIKey |
DKNUPRMJNUQNHR-UHFFFAOYSA-N
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| CAS |
1188910-76-0
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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: PT00980, Aurora kinase A
Protein ID: PT01223, Aurora kinase B
Protein ID: PT01080, Dual specificity mitogen-activated protein kinase kinase 1
Protein ID: PT01379, Dual specificity mitogen-activated protein kinase kinase 2
Protein ID: PT01335, Ephrin type-A receptor 2
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT05135, IGF-like family receptor 1
Protein ID: PT01101, Insulin receptor
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00850, Mitogen-activated protein kinase 1
Protein ID: PT01069, Mitogen-activated protein kinase 3
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT01116, RAF proto-oncogene serine/threonine-protein kinase
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Protein ID: PT01252, Serine/threonine-protein kinase PLK1
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00892, Tyrosine-protein kinase JAK3
Protein ID: PT00876, Tyrosine-protein kinase Lck
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound