General Information of the Compound
| Compound ID |
CP0332857
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| Compound Name |
1-(3,4-dimethylcyclopentyl)-N-ethyl-N-[[3-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C29H37FN4O2
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| Molecular Weight |
492.639
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| Canonical SMILES |
CCN(Cc1cccc(OCc2noc(n2)-c2ccccc2F)c1)C1CCN(C1)C1CC(C)C(C)C1
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| InChI |
InChI=1S/C29H37FN4O2/c1-4-33(23-12-13-34(18-23)24-14-20(2)21(3)15-24)17-22-8-7-9-25(16-22)35-19-28-31-29(36-32-28)26-10-5-6-11-27(26)30/h5-11,16,20-21,23-24H,4,12-15,17-19H2,1-3H3
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| InChIKey |
SORMGDAGOZUFDS-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2