COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564527
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: Cc1sc(c(n1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC[NH+](C)C)/[O-]

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Molecular Weight: 441.59
Empirical Formula: C24H31N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.11
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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