General Information of the Compound
| Compound ID |
CP0383495
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| Compound Name |
[5-[[[5-bromo-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C17H19BrN8O2
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| Molecular Weight |
447.297
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| Canonical SMILES |
Cc1cc(Nc2nc(NCc3cc(no3)C(=O)N3CCCC3)ncc2Br)[nH]n1
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| InChI |
InChI=1S/C17H19BrN8O2/c1-10-6-14(24-23-10)21-15-12(18)9-20-17(22-15)19-8-11-7-13(25-28-11)16(27)26-4-2-3-5-26/h6-7,9H,2-5,8H2,1H3,(H3,19,20,21,22,23,24)
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| InChIKey |
LLOWDDRQFFYWBN-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2