General Information of the Compound
| Compound ID |
CP0436612
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| Compound Name |
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-yl-pentan-1-one
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| Structure |
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| Formula |
C17H25NO3
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| Molecular Weight |
291.391
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C17H25NO3/c1-4-7-14(18-10-5-6-11-18)17(19)13-8-9-15(20-2)16(12-13)21-3/h8-9,12,14H,4-7,10-11H2,1-3H3
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| InChIKey |
AGRVUDWDZKZCAA-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