General Information of the Compound
| Compound ID |
CP0409692
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| Compound Name |
9-(2-Bromo-4-isopropyl-phenyl)-6-[cyclopropylmethyl-(2-methoxy-ethyl)-amino]-2,7-dimethyl-7,9-dihydro-purin-8-one
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| Structure |
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| Formula |
C23H30BrN5O2
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| Molecular Weight |
488.43
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| Canonical SMILES |
COCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12
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| InChI |
InChI=1S/C23H30BrN5O2/c1-14(2)17-8-9-19(18(24)12-17)29-22-20(27(4)23(29)30)21(25-15(3)26-22)28(10-11-31-5)13-16-6-7-16/h8-9,12,14,16H,6-7,10-11,13H2,1-5H3
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| InChIKey |
PAQINLLLVKZZKM-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