General Information of the Compound
| Compound ID |
CP0548749
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| Compound Name |
4-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
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| Structure |
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| Formula |
C19H16N6O2
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| Molecular Weight |
360.377
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| Canonical SMILES |
Cc1cc(no1)C(C)(O)C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12
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| InChI |
InChI=1S/C19H16N6O2/c1-12-9-16(24-27-12)19(2,26)6-3-14-10-15(4-7-21-14)25-8-5-13-11-22-18(20)23-17(13)25/h4-5,7-11,26H,1-2H3,(H2,20,22,23)
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| InChIKey |
PNJUGPGAADMLRQ-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