General Information of the Compound
| Compound ID |
CP0275218
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| Compound Name |
4-N-(3-bromophenyl)-6-[(2,4-dichlorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H14BrCl2N5
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| Molecular Weight |
463.166
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| Canonical SMILES |
Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
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| InChI |
InChI=1S/C19H14BrCl2N5/c20-11-2-1-3-13(7-11)24-17-15-9-14(25-18(15)27-19(23)26-17)6-10-4-5-12(21)8-16(10)22/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
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| InChIKey |
KKIBGZAKMLYCDQ-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: PT00922, Epidermal growth factor receptor
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2