General Information of the Compound
| Compound ID |
CP0138866
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| Compound Name |
CHEMBL4854822
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| Formula |
C22H25FN6O2
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| Molecular Weight |
424.48
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| Canonical SMILES |
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12
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| InChI |
InChI=1S/C22H25FN6O2/c1-13(30)27-4-6-28(7-5-27)14-8-15(9-14)29-11-18(17-10-16(31)2-3-19(17)23)20-21(24)25-12-26-22(20)29/h2-3,10-12,14-15,31H,4-9H2,1H3,(H2,24,25,26)/t14-,15+
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| InChIKey |
DZPXNXYARLTMGL-GASCZTMLSA-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: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT01669, Cytoplasmic tyrosine-protein kinase BMX
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: PT00934, High affinity nerve growth factor receptor
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT00933, Macrophage-stimulating protein receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00936, NT-3 growth factor receptor
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00844, Platelet-derived growth factor receptor beta
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: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT00876, Tyrosine-protein kinase Lck
Protein ID: PT00875, Tyrosine-protein kinase Lyn
Protein ID: PT01182, Tyrosine-protein kinase Mer
Protein ID: PT01868, Tyrosine-protein kinase receptor Tie-1
Protein ID: PT01661, Tyrosine-protein kinase receptor TYRO3
Protein ID: PT01441, Tyrosine-protein kinase SYK
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2