General Information of the Compound
| Compound ID |
CP0530513
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| Compound Name |
3-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-yn-1-ol
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| Structure |
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| Formula |
C18H13N5OS
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| Molecular Weight |
347.403
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| Canonical SMILES |
Nc1ncc2[nH]cc(-c3cccc(c3)C#CC(O)c3nccs3)c2n1
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| InChI |
InChI=1S/C18H13N5OS/c19-18-22-10-14-16(23-18)13(9-21-14)12-3-1-2-11(8-12)4-5-15(24)17-20-6-7-25-17/h1-3,6-10,15,21,24H,(H2,19,22,23)
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| InChIKey |
MLOOAVADQUAVKM-UHFFFAOYSA-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