General Information of the Compound
Compound ID |
CP0263570
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Compound Name |
4-N-(3-bromophenyl)-6-N-[2-(1H-imidazol-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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Structure |
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Formula |
C18H16BrN7
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Molecular Weight |
410.279
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Canonical SMILES |
Brc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1
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InChI |
InChI=1S/C18H16BrN7/c19-12-2-1-3-13(6-12)26-18-15-7-17(22-9-16(15)24-11-25-18)21-5-4-14-8-20-10-23-14/h1-3,6-11H,4-5H2,(H,20,23)(H,21,22)(H,24,25,26)
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InChIKey |
JKSUBOCXWXIPAH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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