General Information of the Compound
| Compound ID |
CP0272883
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| Compound Name |
(R)-2-bromo-4,5-dimethoxy-N-(3-(1-methylpyrrolidin-3-yloxy)-4-(trifluoromethyl)phenyl)benzenesulfonamide
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| Synonyms |
2-Bromo-4,5-dimethoxy-N-[3-[[(3R)-1-methyl-3-pyrrolidinyl]oxy]-4-(trifluoromethyl)phenyl]benzenesulfonamide
2-bromo-4,5-dimethoxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
733734-61-7
AKOS024458280
B5677
BDBM50249878
Benzenesulfonamide,2-bromo-4,5-dimethoxy-N-[3-[[(3R)-1-methyl-3-pyrrolidinyl]oxy]-4-(trifluoromethyl)phenyl]-
CHEMBL522770
GTPL2165
KB-75256
MolPort-035-765-788
NCGC00379177-01
SB 706375
SB-706375
SB706375
SCHEMBL5835165
ZINC1553794
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| Structure |
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| Formula |
C20H22BrF3N2O5S
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| Molecular Weight |
539.37
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| Canonical SMILES |
COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(O[C@@H]2CCN(C)C2)c1)C(F)(F)F
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| InChI |
InChI=1S/C20H22BrF3N2O5S/c1-26-7-6-13(11-26)31-16-8-12(4-5-14(16)20(22,23)24)25-32(27,28)19-10-18(30-3)17(29-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3/t13-/m1/s1
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| InChIKey |
BPOWQJYAMDEAFF-CYBMUJFWSA-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: PT02463, Urotensin-2 receptor
Protein ID: PT03174, Urotensin-2 receptor
Clinical Information about the Compound