COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562166
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-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 485.58
Empirical Formula: C29H31N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.245
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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