General Information of the Compound
| Compound ID |
CP0055944
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| Compound Name |
N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
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| Synonyms |
185376-97-0
AC1MW45U
BCP03496
BDBM85098
BPBio1_000243
BRD-K87048468-003-01-9
Biomol-NT_000133
CHEBI:93519
CHEMBL88402
GTPL187
HZZZZODVDSHQRG-UHFFFAOYSA-N
L000523
N-{5-[5-(2,4-dioxo -1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl]-2,4-dimethoxyphenyl}-4-trifluoromethylbenzenesulfonamide
NCGC00024967-01
NCGC00024967-02
PDSP1_001633
PDSP2_001617
RS 102221 HCl
RS-102,221
RS-102221
RS102221
RS102221 HCl
SCHEMBL7107338
Tocris-1050
ZINC26580328
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| Structure |
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| Formula |
C27H31F3N4O7S
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| Molecular Weight |
612.627
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| Canonical SMILES |
COc1cc(OC)c(cc1N[S](=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
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| InChI |
InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
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| InChIKey |
HZZZZODVDSHQRG-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Clinical Information about the Compound