General Information of the Compound
| Compound ID |
CP0406091
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| Compound Name |
1-benzyl-3-(naphthalen-1-ylsulfonyl)-5-(piperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C28H26N4O2S
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| Molecular Weight |
482.609
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| Canonical SMILES |
O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C28H26N4O2S/c33-35(34,27-12-6-10-22-9-4-5-11-24(22)27)28-25-19-23(31-17-15-29-16-18-31)13-14-26(25)32(30-28)20-21-7-2-1-3-8-21/h1-14,19,29H,15-18,20H2
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| InChIKey |
CPKUIKQUAANRIQ-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