General Information of the Compound
| Compound ID |
CP0548747
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| Compound Name |
4-[5-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
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| Structure |
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| Formula |
C20H17N5O2S
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| Molecular Weight |
391.456
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| Canonical SMILES |
COc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12
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| InChI |
InChI=1S/C20H17N5O2S/c1-20(26,18-22-8-10-28-18)7-5-13-11-15(3-4-16(13)27-2)25-9-6-14-12-23-19(21)24-17(14)25/h3-4,6,8-12,26H,1-2H3,(H2,21,23,24)
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| InChIKey |
XQCICGWNWIQWMO-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