COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK906510
Chemical Name: prop-2-en-1-yl2-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)c1ccc2c(c1)CC(O2)C)O

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Saltdata: 1/3CH3COOH
Molecular Weight: 641.5
Empirical Formula: C29H25BrN2O8S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.492
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 163
Number of rings: 5

     

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