General Information of the Compound
| Compound ID |
CP0910664
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| Compound Name |
2-[[2-(cyclopropylamino)-5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propane-1,3-diol
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| Structure |
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| Formula |
C18H19F2N5O2S2
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| Molecular Weight |
439.513
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| Canonical SMILES |
OCC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC3CC3)sc12
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| InChI |
InChI=1S/C18H19F2N5O2S2/c19-12-3-1-2-9(13(12)20)8-28-17-23-15(21-11(6-26)7-27)14-16(24-17)25-18(29-14)22-10-4-5-10/h1-3,10-11,26-27H,4-8H2,(H2,21,22,23,24,25)
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| InChIKey |
PAUMNFOGCBXNRU-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