General Information of the Compound
| Compound ID |
CP0909483
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| Compound Name |
6-(1-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butyl)-1H-1,2,3-triazol-4-yl)quinoline
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| Structure |
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| Formula |
C25H26Cl2N6
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| Molecular Weight |
481.431
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5ncccc5c4)nn3)CC2)c1Cl
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| InChI |
InChI=1S/C25H26Cl2N6/c26-21-6-3-7-24(25(21)27)32-15-13-31(14-16-32)11-1-2-12-33-18-23(29-30-33)20-8-9-22-19(17-20)5-4-10-28-22/h3-10,17-18H,1-2,11-16H2
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| InChIKey |
XGQOITWDCFSJIH-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor