T-1101 tosylate
HIT212659004
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HIT ID: HIT212659004
Cas No: 2250404-95-4
分子式: C31H31N5O6S3
分子量: 665.8
常用名: T-1101 tosylate
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 4.9880924
IUPAC: 4-methylbenzene-1-sulfonic acid; N-[4-(4-{[5-(2-methoxyethoxy)pyrazin-2-yl]sulfanyl}-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
IUPAC: 4-methylbenzene-1-sulfonic acid; N-[4-(4-{[5-(2-methoxyethoxy)pyrazin-2-yl]sulfanyl}-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILES: Cc1ccc(cc1)S(O)(=O)=O.COCCOc1cnc(Sc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cn1
SMILES: Cc1ccc(cc1)S(O)(=O)=O.COCCOc1cnc(Sc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cn1
InChI key: OUJWEAVKLYQREM-UHFFFAOYSA-N
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