General Information of the Compound
| Compound ID |
CP0167757
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| Compound Name |
8-(2,5-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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| Structure |
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| Formula |
C18H19N5O2S
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| Molecular Weight |
369.45
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| Canonical SMILES |
COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
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| InChI |
InChI=1S/C18H19N5O2S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)26-14-10-12(24-2)7-8-13(14)25-3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21)
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| InChIKey |
COCHTDZHHBDUTK-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