General Information of the Compound
| Compound ID |
CP0426703
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| Compound Name |
4-[5-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
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| Structure |
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| Formula |
C22H21N5O3S
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| Molecular Weight |
435.509
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| Canonical SMILES |
COCCOc1ccc(cc1C#CC(C)(O)c1nccs1)-n1ccc2cnc(N)nc12
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| InChI |
InChI=1S/C22H21N5O3S/c1-22(28,20-24-8-12-31-20)7-5-15-13-17(3-4-18(15)30-11-10-29-2)27-9-6-16-14-25-21(23)26-19(16)27/h3-4,6,8-9,12-14,28H,10-11H2,1-2H3,(H2,23,25,26)
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| InChIKey |
ORDBLPJBUGAXCV-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