Name: SENP1-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323473
Cas No:2416910-59-1
常用名:SENP1-IN-3
别名:SENP1-IN-3
IUPAC:(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-{methyl[(methylcarbamoyl)methyl]carbamoyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
IUPAC:(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-{methyl[(methylcarbamoyl)methyl]carbamoyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
InChI key:CMYOMWCIRQWAOZ-ZDIFQBRASA-N

分子式:C36H58N2O4
分子量:582.87
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)N(C)CC(=O)NC)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C |t:9|
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)N(C)CC(=O)NC)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C |t:9|

SENP1-IN-3 is a distinct inhibitor of the deSUMOylation protease 1 (SENP1), designed to enhance tumor radiosensitivity.

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