General Information of the Compound
| Compound ID |
CP0205248
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| Compound Name |
(3-chlorophenyl)-[4-[3-(6-chloropyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C20H16Cl2N2O
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| Molecular Weight |
371.267
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| Canonical SMILES |
Clc1cccc(c1)C(=O)N1CCC(CC1)=CC#Cc1cccc(Cl)n1
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| InChI |
InChI=1S/C20H16Cl2N2O/c21-17-6-2-5-16(14-17)20(25)24-12-10-15(11-13-24)4-1-7-18-8-3-9-19(22)23-18/h2-6,8-9,14H,10-13H2
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| InChIKey |
AYGQZKNIHLPKOG-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5