General Information of the Compound
| Compound ID |
CP0426706
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| Compound Name |
4-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C17H16N4O
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| Molecular Weight |
292.342
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| Canonical SMILES |
CC(C)(O)C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12
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| InChI |
InChI=1S/C17H16N4O/c1-17(2,22)7-6-11-4-3-5-12(8-11)13-9-19-14-10-20-16(18)21-15(13)14/h3-5,8-10,19,22H,1-2H3,(H2,18,20,21)
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| InChIKey |
QNEARZJBGYYSFU-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