COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313010
Chemical Name: methylN-{[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}-beta-alaninate
Smiles: COC(=O)CCNC(=O)c1c(C)nn(c1C)C1CCS(=O)(=O)C1

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Molecular Weight: 343.4
Empirical Formula: C14H21N3O5S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: -0.695
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 2

     

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