General Information of the Compound
| Compound ID |
CP0454405
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| Compound Name |
(2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-2-phenylethanol
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| Structure |
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| Formula |
C20H19N5OS2
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| Molecular Weight |
409.54
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| Canonical SMILES |
Nc1nc2nc(SCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)c2s1
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| InChI |
InChI=1S/C20H19N5OS2/c21-19-23-18-16(28-19)17(22-15(11-26)14-9-5-2-6-10-14)24-20(25-18)27-12-13-7-3-1-4-8-13/h1-10,15,26H,11-12H2,(H3,21,22,23,24,25)/t15-/m0/s1
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| InChIKey |
TZWVRQVXJIDRAG-HNNXBMFYSA-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