General Information of the Compound
| Compound ID |
CP0957357
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| Compound Name |
4-Benzyl-1-(3-(3,4-dichlorophenyl)-3-(pyrrolidin-1-yl)propyl)-1,2,3,6-tetrahydropyridine
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| Structure |
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| Formula |
C25H30Cl2N2
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| Molecular Weight |
429.435
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| Canonical SMILES |
Clc1ccc(C(CCN2CC=C(Cc3ccccc3)CC2)N2CCCC2)cc1Cl
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| InChI |
InChI=1S/C25H30Cl2N2/c26-23-9-8-22(19-24(23)27)25(29-13-4-5-14-29)12-17-28-15-10-21(11-16-28)18-20-6-2-1-3-7-20/h1-3,6-10,19,25H,4-5,11-18H2
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| InChIKey |
AAXDLPLNFKHHPR-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