General Information of the Compound
| Compound ID |
CP0099047
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| Compound Name |
2-pyrrolidin-1-yl-1-(4-thiophen-2-yl-phenyl)pentan-1-one
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| Structure |
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| Formula |
C19H23NOS
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| Molecular Weight |
313.466
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C19H23NOS/c1-2-6-17(20-12-3-4-13-20)19(21)16-10-8-15(9-11-16)18-7-5-14-22-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3
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| InChIKey |
HEFDYDISPNHKAM-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