COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565328
Chemical Name: (E)-(3-chloro-4-methoxyphenyl){4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc[nH+]1)/[O-]

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Molecular Weight: 462.93
Empirical Formula: C26H23ClN2O4

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: 5.156
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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