General Information of the Compound
| Compound ID |
CP0913063
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| Compound Name |
(2R)-2-[[5-[(2,3-difluorophenyl)methylsulfanyl]-2-(methylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-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 |
CNc1nc2nc(SCc3cccc(F)c3F)nc(N[C@H](C)CO)c2s1
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| InChI |
InChI=1S/C16H17F2N5OS2/c1-8(6-24)20-13-12-14(21-15(19-2)26-12)23-16(22-13)25-7-9-4-3-5-10(17)11(9)18/h3-5,8,24H,6-7H2,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1
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| InChIKey |
YKXOPCFSUSUQIV-MRVPVSSYSA-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