General Information of the Compound
| Compound ID |
CP0379601
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| Compound Name |
1-isopropyl-3-(naphthalen-1-ylsulfonyl)-5-(piperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C24H26N4O2S
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| Molecular Weight |
434.565
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| Canonical SMILES |
CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C24H26N4O2S/c1-17(2)28-22-11-10-19(27-14-12-25-13-15-27)16-21(22)24(26-28)31(29,30)23-9-5-7-18-6-3-4-8-20(18)23/h3-11,16-17,25H,12-15H2,1-2H3
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| InChIKey |
YKEFFXDXDCCGLC-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