General Information of the Compound
| Compound ID |
CP0061738
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| Compound Name |
4-N-(3-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C18H21BrN6
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| Molecular Weight |
401.312
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| Canonical SMILES |
CN(C)CCN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C18H21BrN6/c1-24(2)7-8-25(3)17-10-15-16(11-20-17)21-12-22-18(15)23-14-6-4-5-13(19)9-14/h4-6,9-12H,7-8H2,1-3H3,(H,21,22,23)
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| InChIKey |
HTUBDSNBHLULPF-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