General Information of the Compound
| Compound ID |
CP0411736
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C23H24Cl2N4O
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| Molecular Weight |
443.378
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCNC(=O)c3ccc4ccccc4n3)CC2)c1Cl
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| InChI |
InChI=1S/C23H24Cl2N4O/c24-18-6-3-8-21(22(18)25)29-15-13-28(14-16-29)12-4-11-26-23(30)20-10-9-17-5-1-2-7-19(17)27-20/h1-3,5-10H,4,11-16H2,(H,26,30)
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| InChIKey |
IXPDKUWIQODZDM-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