Biotinylated-JQ1
HIT214983165
sdf文件结构编辑类似物检索
HIT ID: HIT214983165
Cas No: 1635437-52-3
分子式: C39H53ClN8O6S2
分子量: 829.47
常用名: Biotinylated-JQ1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(3-{2-[2-(3-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}propoxy)ethoxy]ethoxy}propyl)pentanamide
IUPAC: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(3-{2-[2-(3-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}propoxy)ethoxy]ethoxy}propyl)pentanamide
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C[C@@H]3N=C(c4c(C)c(C)sc4-n4c(C)nnc34)c3ccc(Cl)cc3)[C@@]1([H])NC(=O)N2
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C[C@@H]3N=C(c4c(C)c(C)sc4-n4c(C)nnc34)c3ccc(Cl)cc3)[C@@]1([H])NC(=O)N2
InChI key: HLZRRKIVMLXYEU-MSMWPWNWSA-N
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