COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815611
Chemical Name: methyl2-[3-hydroxy-4-{[3-methyl-4-(propan-2-yloxy)phenyl]carbonyl}-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(c(c1)C)OC(C)C)O

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Saltdata: 1/4CH3COOH
Molecular Weight: 551.58
Empirical Formula: C27H25N3O8S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 5.157
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 180
Number of rings: 4

     

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