COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL098090
Chemical Name: methyl3-isothiocyanato-1,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: S=C=Nc1cc(n(c1C(=O)OC)C)C

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Molecular Weight: 210.26
Empirical Formula: C9H10N2O2S

Physical State: Dry powder
Available Amount: 678 mg

Lipinsky:
logP: 4.085
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 75
Number of rings: 1

     

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