General Information of the Compound
| Compound ID |
CP0437754
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| Compound Name |
7-benzyl-4-N-(3-bromophenyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H16BrN5
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| Molecular Weight |
394.276
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| Canonical SMILES |
Nc1nc(Nc2cccc(Br)c2)c2ccn(Cc3ccccc3)c2n1
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| InChI |
InChI=1S/C19H16BrN5/c20-14-7-4-8-15(11-14)22-17-16-9-10-25(18(16)24-19(21)23-17)12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,21,22,23,24)
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| InChIKey |
ODNOXDGDVDWXGJ-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: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2