General Information of the Compound
| Compound ID |
CP0433265
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| Compound Name |
(2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]-8-methyl-7H-purin-6-yl]amino]propan-1-ol
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| Structure |
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| Formula |
C16H17F2N5OS
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| Molecular Weight |
365.409
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(C)[nH]c12
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| InChI |
InChI=1S/C16H17F2N5OS/c1-8(6-24)19-14-13-15(21-9(2)20-13)23-16(22-14)25-7-10-4-3-5-11(17)12(10)18/h3-5,8,24H,6-7H2,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1
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| InChIKey |
IQXMSKNDTHUFOZ-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