COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046581
Chemical Name: (E)-(4-chlorophenyl){1-[3-(diethylammonio)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/[O-])/C1c1cc(OC)ccc1OC)CC

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Molecular Weight: 487
Empirical Formula: C26H31ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.896
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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