HIT ID: HIT212666466
Cas No: 1159490-85-3
分子式: C25H22N8O5S
分子量: 546.56
常用名: PF-04217903 phenolsulfonate
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 1.3350415
IUPAC: 2-(4-{1-[(quinolin-6-yl)methyl]-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl}-1H-pyrazol-1-yl)ethan-1-ol; 4-hydroxybenzene-1-sulfonic acid
IUPAC: 2-(4-{1-[(quinolin-6-yl)methyl]-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl}-1H-pyrazol-1-yl)ethan-1-ol; 4-hydroxybenzene-1-sulfonic acid
SMILES: Oc1ccc(cc1)S(O)(=O)=O.OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
SMILES: Oc1ccc(cc1)S(O)(=O)=O.OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChI key: IVOMZNMWVCWDBF-UHFFFAOYSA-N
