General Information of the Compound
| Compound ID |
CP0098918
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| Compound Name |
9-Pent-4-ynyl-8-(3,4,5-trimethoxy-phenylsulfanyl)-9H-purin-6-ylamine
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| Structure |
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| Formula |
C19H21N5O3S
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| Molecular Weight |
399.476
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| Canonical SMILES |
COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)cc(OC)c1OC
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| InChI |
InChI=1S/C19H21N5O3S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)28-12-9-13(25-2)16(27-4)14(10-12)26-3/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)
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| InChIKey |
BZKAJGNFRZFZTB-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