General Information of the Compound
| Compound ID |
CP0543833
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| Compound Name |
4-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]-2-pyrazin-2-ylbut-3-yn-2-ol
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| Structure |
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| Formula |
C19H15N7O
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| Molecular Weight |
357.377
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| Canonical SMILES |
CC(O)(C#Cc1cc(ccn1)-n1ccc2cnc(N)nc12)c1cnccn1
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| InChI |
InChI=1S/C19H15N7O/c1-19(27,16-12-21-7-8-23-16)5-2-14-10-15(3-6-22-14)26-9-4-13-11-24-18(20)25-17(13)26/h3-4,6-12,27H,1H3,(H2,20,24,25)
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| InChIKey |
ZDPHMFFXFQQPTR-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