General Information of the Compound
| Compound ID |
CP0861772
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| Compound Name |
(3-(hydroxymethyl)pyrrolidin-1-yl)(4-((4-methoxyphenyl)ethynyl)phenyl)methanone
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
COc1ccc(C#Cc2ccc(C(=O)N3CCC(CO)C3)cc2)cc1
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| InChI |
InChI=1S/C21H21NO3/c1-25-20-10-6-17(7-11-20)3-2-16-4-8-19(9-5-16)21(24)22-13-12-18(14-22)15-23/h4-11,18,23H,12-15H2,1H3
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| InChIKey |
SSEAIQQCHMZWFQ-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: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3