General Information of the Compound
| Compound ID |
CP0065400
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| Compound Name |
2-(1-benzylpiperidin-4-yl)-2-[(8-hydroxyquinolin-2-yl)methyl-prop-2-ynylamino]acetonitrile
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| Structure |
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| Formula |
C27H28N4O
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| Molecular Weight |
424.548
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| Canonical SMILES |
Oc1cccc2ccc(CN(CC#C)C(C#N)C3CCN(Cc4ccccc4)CC3)nc12
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| InChI |
InChI=1S/C27H28N4O/c1-2-15-31(20-24-12-11-23-9-6-10-26(32)27(23)29-24)25(18-28)22-13-16-30(17-14-22)19-21-7-4-3-5-8-21/h1,3-12,22,25,32H,13-17,19-20H2
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| InChIKey |
PPPLUJWSLKUDBO-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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT00826, Cholinesterase