Aderbasib
methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
Molecular Identity
Aderbasib
methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
PubChem CID: 16070111
2D Structure
Properties
C21H28N4O5
Molecular Formula
416.50
Molecular Weight
g/mol
416.2060
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
668
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)N1CC2(CC2)CC(C1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NOIsomeric SMILES
SMILES: COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NOSynonyms(20)
Aderbasib791828-58-5INCB7839Aderbasib [USAN:INN]V9YL6NEJ3GAderbasib [USAN]INCB 007839INCB-007839INCB007839ADERBASIB [INN]ADERBASIB [WHO-DD]DTXSID7010003275-Azaspiro(2.5)octane-5-carboxylic acid, 7-((hydroxyamino)carbonyl)-6-((4-phenyl-1-piperazinyl)carbonyl)-, methyl ester, (6S,7S)-Methyl (6S,7S)-7-((hydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2.5)octane-5-carboxylateaderbasibum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aderbasib
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