General Information of the Compound
| Compound ID |
CP0562388
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| Compound Name |
(S)-2-(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-ylamino)butan-1-ol
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| Structure |
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| Formula |
C22H23N5O2S2
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| Molecular Weight |
453.593
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| Canonical SMILES |
CC[C@@H](CO)Nc1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12
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| InChI |
InChI=1S/C22H23N5O2S2/c1-2-15(12-28)24-19-18-20(25-21(23)31-18)27-22(26-19)30-13-14-7-6-10-17(11-14)29-16-8-4-3-5-9-16/h3-11,15,28H,2,12-13H2,1H3,(H3,23,24,25,26,27)/t15-/m0/s1
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| InChIKey |
ZWIOHZARRGGENW-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