Name: RORγt agonist 1
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212686799
Cas No:2377378-89-5
常用名:RORγt agonist 1
IUPAC:2-{6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)benzenesulfonyl]-2,3-dihydro-1H-indol-2-yl}acetic acid
IUPAC:2-{6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)benzenesulfonyl]-2,3-dihydro-1H-indol-2-yl}acetic acid
InChI key:UAFXMLYFRFORFY-UHFFFAOYSA-N

分子式:C24H17F6NO5S
分子量:545.45
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:5.9361014
SMILES:OC(=O)CC1Cc2ccc(cc2N1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1cc(F)cc(OC(F)F)c1
SMILES:OC(=O)CC1Cc2ccc(cc2N1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1cc(F)cc(OC(F)F)c1

RORγt agonist 1 is a potent, orally bioavailable agonist of RORγt(EC50 of 20.8 nM).

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