COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150684
Chemical Name: (E)-(4-chlorophenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/[O-])/C1c1ccc(cc1)C(C)C)CC

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Molecular Weight: 455
Empirical Formula: C26H31ClN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.23
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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