General Information of the Compound
| Compound ID |
CP0436863
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| Compound Name |
1-(4-propynylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
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| Structure |
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| Formula |
C18H23NO
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| Molecular Weight |
269.388
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C#CC
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| InChI |
InChI=1S/C18H23NO/c1-3-7-15-9-11-16(12-10-15)18(20)17(8-4-2)19-13-5-6-14-19/h9-12,17H,4-6,8,13-14H2,1-2H3
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| InChIKey |
FCINLQHPPAWABH-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter