General Information of the Compound
| Compound ID |
CP0378234
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| Compound Name |
2-methyl-4-(4-(6-methylpyridin-2-ylamino)phenyl)but-3-yn-2-ol
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| Structure |
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| Formula |
C17H18N2O
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| Molecular Weight |
266.344
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| Canonical SMILES |
Cc1cccc(Nc2ccc(cc2)C#CC(C)(C)O)n1
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| InChI |
InChI=1S/C17H18N2O/c1-13-5-4-6-16(18-13)19-15-9-7-14(8-10-15)11-12-17(2,3)20/h4-10,20H,1-3H3,(H,18,19)
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| InChIKey |
KCYPEQGZOUORMP-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