COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043874
Chemical Name: methyl2-[(3E)-3-{hydroxy[3-methyl-4-(propan-2-yloxy)phenyl]methylidene}-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC(C)C)/O)/C1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 551.58
Empirical Formula: C27H25N3O8S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 5.43
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 180
Number of rings: 4

     

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