General Information of the Compound
| Compound ID |
CP0545351
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| Compound Name |
(2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]-7H-purin-6-yl]amino]propan-1-ol
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| Structure |
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| Formula |
C15H15F2N5OS
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| Molecular Weight |
351.382
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]cnc12
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| InChI |
InChI=1S/C15H15F2N5OS/c1-8(5-23)20-14-12-13(19-7-18-12)21-15(22-14)24-6-9-3-2-4-10(16)11(9)17/h2-4,7-8,23H,5-6H2,1H3,(H2,18,19,20,21,22)/t8-/m1/s1
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| InChIKey |
MUDKBIRSCQCUDX-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