COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564747
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)C(C)C)C

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Molecular Weight: 398.53
Empirical Formula: C22H26N2O3S

Physical State: Dry powder
Available Amount: 257 mg

Lipinsky:
logP: 4.457
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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