HIT ID: HIT218848850
Cas No: 2983890-50-0
分子式: C50H37ClF3N5O11S
分子量: 1008.38
常用名: RORγ allosteric probe-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-{[2-(2-{2-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]ethoxy}ethoxy)ethyl]carbamoyl}-1H-indazol-3-yl}benzoic acid
IUPAC: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-{[2-(2-{2-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]ethoxy}ethoxy)ethyl]carbamoyl}-1H-indazol-3-yl}benzoic acid
SMILES: OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)NCCOCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12
SMILES: OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(ccc12)C(=O)NCCOCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12
InChI key: LJNIJZCOEWOQCL-UHFFFAOYSA-N
