COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562893
Chemical Name: (E)-(3,4-dimethoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 494.59
Empirical Formula: C28H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.075
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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