Molecular Identity
Alrizomadlin
PubChem CID: 91972012
2D Structure
Properties
C34H38Cl2FN3O4
Molecular Formula
642.60
Molecular Weight
g/mol
641.2223
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
98.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
1160
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C(C(C2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)OIsomeric SMILES
SMILES: CCN1[C@H]([C@@H]([C@]2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)OSynonyms(20)
Alrizomadlin1818393-16-6APG-115AA-115APG 11515QAU0SI9JAPG 115 [WHO-DD]ALRIZOMADLIN [INN]Bicyclo(2.2.2)octane-1-carboxylic acid, 4-((((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-1'',2''-dihydro-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-4-((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-indoline)-5'-carboxamido)bicyclo (2.2.2)octane-1-carboxylic acid4-((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo [2.2.2]octane-1-carboxylic acidRefChem:555989MDM2-p53 Inhibitor APG-115p53-HDM2 Protein-protein Interaction Inhibitor APG-115(3'R,4'S,5'R)-4-((6-CHLORO-2-OXO-1,2-DIHYDRO-SPIRO(INDOLE-3,3'-PYRROLIDIN)E-4'-(3-CHLORO-2-FLUORO-PHENYL)-1'-ETHYL-SPIRO(CYCLOHEXANE-1,2'-PYRROLIDINE)-5'-CARBONYL)-AMINO)-BICYCLO(2.2.2)OCTANE-1-CARBOXYLIC ACID
Data from PubChem (NCBI)
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Trials and conditions connected to Alrizomadlin
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