COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565661
Chemical Name: (E)-(4-chlorophenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/[O-])/C1c1cc(OC)c(c(c1)OC)OC)CC

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Molecular Weight: 502.99
Empirical Formula: C26H31ClN2O6

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.33
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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