General Information of the Compound
| Compound ID |
CP0883983
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| Compound Name |
2-((5-Chlorothiophen-2-yl)ethynyl)-N-(3,4-dihydroxyphenethyl)-9H-purin-6-amine
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| Structure |
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| Formula |
C19H14ClN5O2S
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| Molecular Weight |
411.874
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| Canonical SMILES |
Oc1ccc(CCNc2nc(C#Cc3ccc(Cl)s3)nc3[nH]cnc23)cc1O
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| InChI |
InChI=1S/C19H14ClN5O2S/c20-15-5-2-12(28-15)3-6-16-24-18(17-19(25-16)23-10-22-17)21-8-7-11-1-4-13(26)14(27)9-11/h1-2,4-5,9-10,26-27H,7-8H2,(H2,21,22,23,24,25)
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| InChIKey |
OUDNABXHAKYWLX-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