General Information of the Compound
| Compound ID |
CP0413705
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| Compound Name |
5-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
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| Structure |
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| Formula |
C22H21Cl2N7O
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| Molecular Weight |
470.364
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| Canonical SMILES |
Clc1cccc(N2CCN(CCc3cn(nn3)-c3ccn4ncc(C=O)c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C22H21Cl2N7O/c23-19-2-1-3-20(22(19)24)29-10-8-28(9-11-29)6-4-17-14-31(27-26-17)18-5-7-30-21(12-18)16(15-32)13-25-30/h1-3,5,7,12-15H,4,6,8-11H2
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| InChIKey |
CUAINFDJRFUIDT-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor