General Information of the Compound
| Compound ID |
CP0095199
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| Compound Name |
2-{[2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)ethyl](methyl)amino}ethan-1-ol
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| Structure |
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| Formula |
C18H21BrN6O
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| Molecular Weight |
417.311
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| Canonical SMILES |
CN(CCO)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C18H21BrN6O/c1-25(7-8-26)6-5-20-17-10-15-16(11-21-17)22-12-23-18(15)24-14-4-2-3-13(19)9-14/h2-4,9-12,26H,5-8H2,1H3,(H,20,21)(H,22,23,24)
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| InChIKey |
APZJVORBGFQNIQ-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