Chemical Compound

CHEMBL5789740

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CHEMBL5789740 chemical structure
Primary Record

CHEMBL5789740

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
132136787
SMILES
C[C@@H]1CN([C@H](CN1)CN2CCOC[C@H]2C)CC(=O)N3C[C@@](C4=C3C=C(C=C4)CC5=CC=C(C=C5)F)(C)C(=O)NCC(=O)NC6=CC7=C(C[C@H](N(C7)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]8CCCC9=CC=CC=C89)C=C6
Canonical SMILES
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C

Names & Synonyms

  • CHEMBL5789740
  • SCHEMBL19607820
  • BDBM412171
  • US10398702, Example 10
  • (3S)-2-[(2S)-3,3-dimethyl- 2-[[(2S)-2- (methylamino)propanoyl] amino]butanoyl]-7-[[2- [[(3S)-6-[(4- fluorophenyl)methyl]-3- methyl-1-[2-[(2R,5R)-5- methyl-2-[[(3R)-3- methylmorpholin-4- yl]methyl]piperazin-1- yl]acetyl]-2H-indole-3- carbonyl]amino]acetyl] amino]-N-[(1R)-1,2,3,4- tetrahydronaphthalen-1-yl]- 3,4-dihydro-1H- isoquinoline-3- carboxamide;trihydrochloride