Name: Mcl-1 antagonist 1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315341
Cas No:2376775-05-0
常用名:Mcl-1 antagonist 1
IUPAC:(1S,3'R,6'R,7'S,8'Z,15'R)-6-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-15'-hydroxy-N-[(2-hydroxyethyl)(methyl)sulfamoyl]-12'-methyl-13'-oxo-3,4-dihydro-2H-20'-oxa-1',12'-diazaspiro[naphthalene-1,22'-tetracyclo[14.7.2.0^{3,6}.0^{19,24}]pentacosane]-8',16'(25'),17',19'(24')-tetraene-15'-carboxamide
IUPAC:(1S,3'R,6'R,7'S,8'Z,15'R)-6-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-15'-hydroxy-N-[(2-hydroxyethyl)(methyl)sulfamoyl]-12'-methyl-13'-oxo-3,4-dihydro-2H-20'-oxa-1',12'-diazaspiro[naphthalene-1,22'-tetracyclo[14.7.2.0^{3,6}.0^{19,24}]pentacosane]-8',16'(25'),17',19'(24')-tetraene-15'-carboxamide
InChI key:IHYDZFFQPUKFIP-YHOKPAFBSA-N

分子式:C41H54ClF2N5O8S
分子量:850.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)(F)C1)\C=C/CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)CCO)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |c:18|
SMILES:[H][C@@]12CC[C@@]1([H])[C@@H](OCCN1CC(F)(F)C1)\C=C/CCN(C)C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)CCO)c1ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C2)c3c1 |c:18|

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