COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561026
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)OC)/[O-])/C1c1ccc(cc1)C(C)C)CC

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Molecular Weight: 464.6
Empirical Formula: C28H36N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.805
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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