General Information of the Compound
| Compound ID |
CP0432912
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| Compound Name |
9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amino)-7-cyclopropylmethyl-2-methyl-7,9-dihydro-purin-8-one
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| Structure |
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| Formula |
C25H34BrN5O
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| Molecular Weight |
500.485
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(CC3CC3)c12
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| InChI |
InChI=1S/C25H34BrN5O/c1-6-8-13-29(7-2)23-22-24(28-17(5)27-23)31(25(32)30(22)15-18-9-10-18)21-12-11-19(16(3)4)14-20(21)26/h11-12,14,16,18H,6-10,13,15H2,1-5H3
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| InChIKey |
UENYLVWBBNYKDP-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