COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562920
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)OC(C)C)CC

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Molecular Weight: 456.61
Empirical Formula: C25H32N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.1
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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