General Information of the Compound
| Compound ID |
CP0139333
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| Compound Name |
3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(3,4-dichlorophenyl)propan-1-ol
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| Structure |
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| Formula |
C21H23Cl2NO
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| Molecular Weight |
376.327
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| Canonical SMILES |
OC(CCN1CCC(Cc2ccccc2)=CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H23Cl2NO/c22-19-7-6-18(15-20(19)23)21(25)10-13-24-11-8-17(9-12-24)14-16-4-2-1-3-5-16/h1-8,15,21,25H,9-14H2
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| InChIKey |
NQXSFBZVBLPNCG-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