General Information of the Compound
| Compound ID |
CP0288932
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| Compound Name |
4-N-(3-bromophenyl)-6-N-[2-(pyridin-2-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C20H17BrN6
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| Molecular Weight |
421.302
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cnc(NCCc4ccccn4)cc23)c1
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| InChI |
InChI=1S/C20H17BrN6/c21-14-4-3-6-16(10-14)27-20-17-11-19(24-12-18(17)25-13-26-20)23-9-7-15-5-1-2-8-22-15/h1-6,8,10-13H,7,9H2,(H,23,24)(H,25,26,27)
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| InChIKey |
JGLPCRUFWFOQKT-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