General Information of the Compound
| Compound ID |
CP0568318
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| Compound Name |
2-[6-[4-(2,3-dichlorophenyl)piperazin-1-yl]hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C22H27Cl2N5O
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| Molecular Weight |
448.398
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCCCn3nc4ccccn4c3=O)CC2)c1Cl
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| InChI |
InChI=1S/C22H27Cl2N5O/c23-18-8-7-9-19(21(18)24)27-16-14-26(15-17-27)11-4-1-2-5-13-29-22(30)28-12-6-3-10-20(28)25-29/h3,6-10,12H,1-2,4-5,11,13-17H2
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| InChIKey |
NAYDGZDOLSSMTQ-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