General Information of the Compound
| Compound ID |
CP0501887
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| Compound Name |
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C21H18BrN5O
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| Molecular Weight |
436.313
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| Canonical SMILES |
COc1ccc(CNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)cc1
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| InChI |
InChI=1S/C21H18BrN5O/c1-28-17-7-5-14(6-8-17)11-23-20-10-18-19(12-24-20)25-13-26-21(18)27-16-4-2-3-15(22)9-16/h2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26,27)
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| InChIKey |
CXLKPXBPOPTFNY-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