General Information of the Compound
| Compound ID |
CP0534511
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| Compound Name |
9-(2-Bromo-4-isopropyl-phenyl)-6-(1-methoxymethyl-propoxy)-2-methyl-9H-purine
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| Structure |
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| Formula |
C20H25BrN4O2
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| Molecular Weight |
433.35
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| Canonical SMILES |
CCC(COC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C20H25BrN4O2/c1-6-15(10-26-5)27-20-18-19(23-13(4)24-20)25(11-22-18)17-8-7-14(12(2)3)9-16(17)21/h7-9,11-12,15H,6,10H2,1-5H3
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| InChIKey |
ZAOPHUGNBUDZOX-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