COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022440
Chemical Name: 4-[2,5-dimethyl-3-(morpholin-4-ylcarbonothioyl)-1H-pyrrol-1-yl]phenyl3-nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)n1c(C)cc(c1C)C(=S)N1CCOCC1

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Molecular Weight: 465.53
Empirical Formula: C24H23N3O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.876
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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