General Information of the Compound
| Compound ID |
CP0568321
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| Compound Name |
(2R)-2-[[5-[(2,3-difluorophenyl)methylsulfanyl]-2H-triazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol
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| Structure |
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| Formula |
C14H14F2N6OS
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| Molecular Weight |
352.37
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]nnc12
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| InChI |
InChI=1S/C14H14F2N6OS/c1-7(5-23)17-12-11-13(21-22-20-11)19-14(18-12)24-6-8-3-2-4-9(15)10(8)16/h2-4,7,23H,5-6H2,1H3,(H2,17,18,19,20,21,22)/t7-/m1/s1
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| InChIKey |
DOIXIVNPHLJHFY-SSDOTTSWSA-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