Ro-5045337
[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone
Molecular Identity
Ro-5045337
[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone
PubChem CID: 57406853
2D Structure
Properties
C38H48Cl2N4O4S
Molecular Formula
727.80
Molecular Weight
g/mol
726.2773
Exact Mass
Da
7.3
XLogP
Above Lipinski threshold
90.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
1260
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C(N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)ClIsomeric SMILES
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)ClSynonyms(20)
RG7112939981-39-2RG-7112RO5045337RO-5045337Mdm2 antagonist ro5045337Q8MI0X869MDTXSID60240182R 7112[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone((4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl)-(4-(3-methylsulfonylpropyl)piperazin-1-yl)methanoneRefChem:179699DTXCID60162673R71121-((4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl)-4-(3-methanesulfonylpropyl)piperazine
Data from PubChem (NCBI)
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