General Information of the Compound
| Compound ID |
CP0383498
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| Compound Name |
5-bromo-2-N-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H20BrN7O
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| Molecular Weight |
406.288
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| Canonical SMILES |
Cc1cc(Nc2nc(NCc3cc(no3)C(C)(C)C)ncc2Br)[nH]n1
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| InChI |
InChI=1S/C16H20BrN7O/c1-9-5-13(23-22-9)20-14-11(17)8-19-15(21-14)18-7-10-6-12(24-25-10)16(2,3)4/h5-6,8H,7H2,1-4H3,(H3,18,19,20,21,22,23)
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| InChIKey |
XKPXDWQAHHLAML-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: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2