General Information of the Compound
| Compound ID |
CP0442570
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| Compound Name |
2-(2-amino-5-(pentylthio)thiazolo[4,5-d]pyrimidin-7-ylamino)ethanol
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| Structure |
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| Formula |
C12H19N5OS2
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| Molecular Weight |
313.452
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| Canonical SMILES |
CCCCCSc1nc(NCCO)c2sc(N)nc2n1
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| InChI |
InChI=1S/C12H19N5OS2/c1-2-3-4-7-19-12-16-9(14-5-6-18)8-10(17-12)15-11(13)20-8/h18H,2-7H2,1H3,(H3,13,14,15,16,17)
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| InChIKey |
IQWZNPGSAYIIQQ-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