General Information of the Compound
| Compound ID |
CP0379113
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| Compound Name |
5-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C18H14BrN3O2S2
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| Molecular Weight |
448.367
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| Canonical SMILES |
Brc1ccc(s1)S(=O)(=O)Nc1ccn(Cc2cccc3ccccc23)n1
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| InChI |
InChI=1S/C18H14BrN3O2S2/c19-16-8-9-18(25-16)26(23,24)21-17-10-11-22(20-17)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-11H,12H2,(H,20,21)
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| InChIKey |
RPLQEGGEFLZVOJ-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