TAS2940 fumarate
HIT218850539
sdf文件结构编辑类似物检索
HIT ID: HIT218850539
Cas No: 2758034-98-7
分子式: C32H34N6O6
分子量: 598.66
常用名: TAS2940 fumarate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2E)-but-2-enedioic acid; 4-amino-6-(2-cyclopropylethynyl)-7-[(3R,5S)-5-methyl-1-(prop-2-enoyl)pyrrolidin-3-yl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
IUPAC: (2E)-but-2-enedioic acid; 4-amino-6-(2-cyclopropylethynyl)-7-[(3R,5S)-5-methyl-1-(prop-2-enoyl)pyrrolidin-3-yl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILES: OC(=O)\C=C\C(O)=O.C[C@@H](NC(=O)c1c(C#CC2CC2)n([C@@H]2C[C@H](C)N(C2)C(=O)C=C)c2ncnc(N)c12)c1ccccc1
SMILES: OC(=O)\C=C\C(O)=O.C[C@@H](NC(=O)c1c(C#CC2CC2)n([C@@H]2C[C@H](C)N(C2)C(=O)C=C)c2ncnc(N)c12)c1ccccc1
InChI key: KKJYOCOTLBPVRD-YVBCTRNMSA-N
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