General Information of the Compound
| Compound ID |
CP0529583
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| Compound Name |
9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amino)-2-methyl-7,9-dihydro-purin-8-one
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| Structure |
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| Formula |
C21H28BrN5O
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| Molecular Weight |
446.393
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)[nH]c12
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| InChI |
InChI=1S/C21H28BrN5O/c1-6-8-11-26(7-2)19-18-20(24-14(5)23-19)27(21(28)25-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3,(H,25,28)
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| InChIKey |
DHRSYIIERWAJPN-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