General Information of the Compound
| Compound ID |
CP0413700
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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
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| Structure |
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| Formula |
C21H21Cl2N7
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| Molecular Weight |
442.354
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| Canonical SMILES |
Clc1cccc(N2CCN(CCc3cn(nn3)-c3ccn4nccc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C21H21Cl2N7/c22-19-2-1-3-20(21(19)23)28-12-10-27(11-13-28)8-5-16-15-30(26-25-16)18-6-9-29-17(14-18)4-7-24-29/h1-4,6-7,9,14-15H,5,8,10-13H2
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| InChIKey |
HMVJSLZLZZJKHU-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