General Information of the Compound
| Compound ID |
CP0495377
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| Compound Name |
8-(3,4,5-trimethoxybenzyl)-9-(pent-4-ynyl)-9H-purin-6-amine
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| Structure |
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| Formula |
C20H23N5O3
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| Molecular Weight |
381.436
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| Canonical SMILES |
COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)cc(OC)c1OC
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| InChI |
InChI=1S/C20H23N5O3/c1-5-6-7-8-25-16(24-17-19(21)22-12-23-20(17)25)11-13-9-14(26-2)18(28-4)15(10-13)27-3/h1,9-10,12H,6-8,11H2,2-4H3,(H2,21,22,23)
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| InChIKey |
HQUQVRWDKQHIOE-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