General Information of the Compound
| Compound ID |
CP0460146
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| Compound Name |
(R)-2-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-ylamino)butan-1-ol
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| Structure |
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| Formula |
C16H17F2N5OS2
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| Molecular Weight |
397.476
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
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| InChI |
InChI=1S/C16H17F2N5OS2/c1-2-9(6-24)20-13-12-14(21-15(19)26-12)23-16(22-13)25-7-8-4-3-5-10(17)11(8)18/h3-5,9,24H,2,6-7H2,1H3,(H3,19,20,21,22,23)/t9-/m1/s1
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| InChIKey |
RWUQUOUNNCHFDU-SECBINFHSA-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