General Information of the Compound
| Compound ID |
CP0572576
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| Compound Name |
2-bromo-1-[2,4-diamino-6-[2-(4-methylphenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]ethanone
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| Formula |
C18H22BrN5O
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| Molecular Weight |
404.312
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| Canonical SMILES |
Cc1ccc(CCC2CCc3nc(N)nc(N)c3N2C(=O)CBr)cc1
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| InChI |
InChI=1S/C18H22BrN5O/c1-11-2-4-12(5-3-11)6-7-13-8-9-14-16(24(13)15(25)10-19)17(20)23-18(21)22-14/h2-5,13H,6-10H2,1H3,(H4,20,21,22,23)
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| InChIKey |
VAJZRALOMAYDBC-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