General Information of the Compound
| Compound ID |
CP0491001
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| Compound Name |
2-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C23H28N6OS
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| Molecular Weight |
436.585
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| Canonical SMILES |
O=c1n(CCCCCCN2CCN(CC2)c2nsc3ccccc23)nc2ccccn12
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| InChI |
InChI=1S/C23H28N6OS/c30-23-28-13-8-5-11-21(28)24-29(23)14-7-2-1-6-12-26-15-17-27(18-16-26)22-19-9-3-4-10-20(19)31-25-22/h3-5,8-11,13H,1-2,6-7,12,14-18H2
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| InChIKey |
XVXFSBQMSJKQKG-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