COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL133164
Chemical Name: methyl3-isothiocyanato-1-(2-methoxy-2-oxoethyl)-4-phenyl-1H-pyrrole-2-carboxylate
Smiles: S=C=Nc1c(C(=O)OC)n(cc1c1ccccc1)CC(=O)OC

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Molecular Weight: 330.36
Empirical Formula: C16H14N2O4S

Physical State: Dry powder
Available Amount: 1239 mg

Lipinsky:
logP: 6.068
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 2

     

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