General Information of the Compound
| Compound ID |
CP0672877
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| Compound Name |
1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea
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| Synonyms |
LY3009120
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| Structure |
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| Formula |
C23H29FN6O
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| Molecular Weight |
424.524
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| Canonical SMILES |
CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1
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| InChI |
InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
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| InChIKey |
HHCBMISMPSAZBF-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: PT02330, Dual specificity mitogen-activated protein kinase kinase 5
Protein ID: PT02203, eIF-2-alpha kinase GCN2
Protein ID: PT01335, Ephrin type-A receptor 2
Protein ID: PT01028, Ephrin type-B receptor 4
Protein ID: PT03462, GTPase KRas
Protein ID: PT01422, Interleukin-1 receptor-associated kinase 1
Protein ID: PT02262, Mitogen-activated protein kinase kinase kinase 1
Protein ID: PT01059, Mitogen-activated protein kinase kinase kinase 20
Protein ID: PT02501, Mitogen-activated protein kinase kinase kinase kinase 5
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01116, RAF proto-oncogene serine/threonine-protein kinase
Protein ID: PT03251, Serine/threonine-protein kinase A-Raf
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01262, Tyrosine-protein kinase CSK
Protein ID: PT01237, Tyrosine-protein kinase Fyn
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9.2 nM
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| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
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IC50 = 2600 nM
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LO
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Clinical Information about the Compound