COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039099
Chemical Name: (E)-(2,4-dimethyl-1,3-thiazol-5-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: Cc1nc(c(s1)/C(=C\1/C(c2ccncc2)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 442.54
Empirical Formula: C22H26N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.885
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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