General Information of the Compound
| Compound ID |
CP0504950
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| Compound Name |
4-(3-(4-aminopyridin-2-yl)phenyl)but-3-yn-1-ol
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| Structure |
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| Formula |
C15H14N2O
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| Molecular Weight |
238.29
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| Canonical SMILES |
Nc1ccnc(c1)-c1cccc(c1)C#CCCO
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| InChI |
InChI=1S/C15H14N2O/c16-14-7-8-17-15(11-14)13-6-3-5-12(10-13)4-1-2-9-18/h3,5-8,10-11,18H,2,9H2,(H2,16,17)
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| InChIKey |
FORDSOYHQBFBOM-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