HIT ID: HIT219158939
Cas No: 2376399-41-4
分子式: C31H33N7O8S
分子量: 663.71
常用名: Emavusertib Tosylate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-methylbenzene-1-sulfonic acid; N-{5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl}-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
IUPAC: 4-methylbenzene-1-sulfonic acid; N-{5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl}-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
SMILES: Cc1ccc(cc1)S(O)(=O)=O.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1
SMILES: Cc1ccc(cc1)S(O)(=O)=O.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1
InChI key: XJMGSZLODKNAJQ-PKLMIRHRSA-N
