COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045557
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 443.55
Empirical Formula: C27H29N3O3

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.954
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 4

     

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