General Information of the Compound
| Compound ID |
CP0367635
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| Compound Name |
8-(2-Chloro-5-methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine
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| Structure |
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| Formula |
C17H16ClN5OS
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| Molecular Weight |
373.869
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| Canonical SMILES |
COc1ccc(Cl)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
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| InChI |
InChI=1S/C17H16ClN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21)
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| InChIKey |
ZODASEFDXYBTCV-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