General Information of the Compound
| Compound ID |
CP0403195
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| Compound Name |
1-(4-methylphenyl)-2-pyrrolidin-1-yl-pent-4-ene-1-one
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| Structure |
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| Formula |
C16H21NO
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| Molecular Weight |
243.35
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)C(CC=C)N1CCCC1
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| InChI |
InChI=1S/C16H21NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h3,7-10,15H,1,4-6,11-12H2,2H3
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| InChIKey |
JREHJCKVQXOMFL-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