General Information of the Compound
| Compound ID |
CP0413701
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| Compound Name |
5-[4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
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| Structure |
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| Formula |
C23H23Cl2N7O
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| Molecular Weight |
484.391
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCc3cn(nn3)-c3ccn4ncc(C=O)c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C23H23Cl2N7O/c24-20-4-1-5-21(23(20)25)30-11-9-29(10-12-30)7-2-3-18-15-32(28-27-18)19-6-8-31-22(13-19)17(16-33)14-26-31/h1,4-6,8,13-16H,2-3,7,9-12H2
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| InChIKey |
CGJFUPKHNBCZFP-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