General Information of the Compound
| Compound ID |
CP0111325
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| Compound Name |
1-(1-benzothiophen-2-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
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| Structure |
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| Formula |
C23H25NOS
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| Molecular Weight |
363.526
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| Canonical SMILES |
OC(CCN1CCC(Cc2ccccc2)=CC1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C23H25NOS/c25-21(23-17-20-8-4-5-9-22(20)26-23)12-15-24-13-10-19(11-14-24)16-18-6-2-1-3-7-18/h1-10,17,21,25H,11-16H2
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| InChIKey |
NBIWTPBSAFCSRX-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