General Information of the Compound
| Compound ID |
CP0479843
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| Compound Name |
4-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]-2-cyclohexylbut-3-yn-2-ol
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)C1CCCCC1
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| InChI |
InChI=1S/C22H24N4O/c1-22(27,17-8-3-2-4-9-17)11-10-15-6-5-7-16(12-15)18-13-24-19-14-25-21(23)26-20(18)19/h5-7,12-14,17,24,27H,2-4,8-9H2,1H3,(H2,23,25,26)
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| InChIKey |
ZKILWZWYLIZLPB-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