Name: 2413035-41-1
Rating: 5 (10 reviews)

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HIT ID:HIT214433641
Cas No:2413035-41-1
常用名:2413035-41-1
IUPAC:(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-{2-[4-(4-{3-[2,6-difluoro-3-(propane-1-sulfonamido)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}phenyl)piperazin-1-yl]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:MBCAVOCJJAQHHT-FGUOTCRGSA-N

分子式:C51H57F2N9O7S2
分子量:1010.19
氢键供体数 (HBD):5
氢键受体数 (HBA):11
LogP:5.895
SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)N2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1F
SMILES:CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)N2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1F

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