General Information of the Compound
| Compound ID |
CP0479094
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| Compound Name |
1-isobutyl-3-(naphthalen-1-ylsulfonyl)-5-(piperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H28N4O2S/c1-18(2)17-29-23-11-10-20(28-14-12-26-13-15-28)16-22(23)25(27-29)32(30,31)24-9-5-7-19-6-3-4-8-21(19)24/h3-11,16,18,26H,12-15,17H2,1-2H3
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| InChIKey |
JJOOPJBXZHKRLQ-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor