HIT ID: HIT219136784
Cas No: 2938991-80-9
分子式: C34H31F3N8O5
分子量: 688.668
常用名: KSQ-4279 (gentisate)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,5-dihydroxybenzoic acid; 4-cyclopropyl-6-methoxy-5-[1-({4-[1-(propan-2-yl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidine
IUPAC: 2,5-dihydroxybenzoic acid; 4-cyclopropyl-6-methoxy-5-[1-({4-[1-(propan-2-yl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidine
SMILES: OC(=O)c1cc(O)ccc1O.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(cc3)-c3nc(cn3C(C)C)C(F)(F)F)c2n1
SMILES: OC(=O)c1cc(O)ccc1O.COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(cc3)-c3nc(cn3C(C)C)C(F)(F)F)c2n1
InChI key: PXOKJYFXROIPJN-UHFFFAOYSA-N
