General Information of the Compound
| Compound ID |
CP0379542
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| Compound Name |
5-(4-Methylpiperazin-1-yl)-3-(1-naphthalenesulfonyl)-1H-indazole
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| Structure |
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| Formula |
C22H22N4O2S
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| Molecular Weight |
406.511
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H22N4O2S/c1-25-11-13-26(14-12-25)17-9-10-20-19(15-17)22(24-23-20)29(27,28)21-8-4-6-16-5-2-3-7-18(16)21/h2-10,15H,11-14H2,1H3,(H,23,24)
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| InChIKey |
OQGLQARWXJXSKS-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