General Information of the Compound
| Compound ID |
CP0845871
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| Compound Name |
6-methoxy-2-methyl-3-((R)-3-methyl-1-((R)-pyrrolidin-3-yl)butoxy)pyridine
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| Structure |
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| Formula |
C16H26N2O2
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| Molecular Weight |
278.396
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| Canonical SMILES |
COc1ccc(O[C@H](CC(C)C)[C@@H]2CCNC2)c(C)n1
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| InChI |
InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m1/s1
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| InChIKey |
SNNRWIBSGBMYRF-UKRRQHHQSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter