General Information of the Compound
| Compound ID |
CP0545010
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| Compound Name |
2-[[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C24H24ClN5O
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| Molecular Weight |
433.943
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(Cc2ccc(Cn3nc4ccccn4c3=O)cc2)CC1
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| InChI |
InChI=1S/C24H24ClN5O/c25-21-4-3-5-22(16-21)28-14-12-27(13-15-28)17-19-7-9-20(10-8-19)18-30-24(31)29-11-2-1-6-23(29)26-30/h1-11,16H,12-15,17-18H2
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| InChIKey |
VSLSUZJMQBJPOJ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor