General Information of the Compound
| Compound ID |
CP0435578
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| Compound Name |
(3R)-3-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2,5-dimethylhexan-2-ol
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| Structure |
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| Formula |
C20H27N5OS2
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| Molecular Weight |
417.604
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| Canonical SMILES |
CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(C)(C)O
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| InChI |
InChI=1S/C20H27N5OS2/c1-12(2)10-14(20(3,4)26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11-13-8-6-5-7-9-13/h5-9,12,14,26H,10-11H2,1-4H3,(H3,21,22,23,24,25)/t14-/m1/s1
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| InChIKey |
GGCGTVNPAQRGER-CQSZACIVSA-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