General Information of the Compound
| Compound ID |
CP0511466
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| Compound Name |
1-[3-(1-benzothiophen-3-yl)-3-pyrrolidin-1-ylpropyl]-4-benzyl-3,6-dihydro-2H-pyridine
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| Structure |
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| Formula |
C27H32N2S
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| Molecular Weight |
416.634
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| Canonical SMILES |
C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCC1)c1csc2ccccc12
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| InChI |
InChI=1S/C27H32N2S/c1-2-8-22(9-3-1)20-23-12-17-28(18-13-23)19-14-26(29-15-6-7-16-29)25-21-30-27-11-5-4-10-24(25)27/h1-5,8-12,21,26H,6-7,13-20H2
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| InChIKey |
WWEXFJSAHWQFBA-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