General Information of the Compound
| Compound ID |
CP0553743
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| Compound Name |
cyclobutylmethyl 4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidine-1-carboxylate
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| Structure |
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| Formula |
C20H24N2O2
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| Molecular Weight |
324.424
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)C(=O)OCC1CCC1
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| InChI |
InChI=1S/C20H24N2O2/c1-16-5-2-9-19(21-16)10-4-6-17-11-13-22(14-12-17)20(23)24-15-18-7-3-8-18/h2,5-6,9,18H,3,7-8,11-15H2,1H3
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| InChIKey |
UFPNISVVVRUGCZ-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