Name: IMC-76
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319558
Cas No:98129-27-2
常用名:IMC-76
别名:NSC-59276, NSC59276, NSC 59276, IMC 76
IUPAC:(1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-1-[1-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
IUPAC:(1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-1-[1-(6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-yl)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
InChI key:JVEDHWWWBFCUKI-NGGXXLGOSA-N

分子式:C30H45NO3
分子量:467.694
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@H](C(C)N3COc4ccc(OC)cc4C3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C
SMILES:[H][C@@]12CC[C@H](C(C)N3COc4ccc(OC)cc4C3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C

IMC-76 is a BCL2 i-motif-interactive compound that can act by destabilizing or unfolding the i-motif.

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