COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143063
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Smiles: O=C1CC(C)(C)CC(=C1C(=S)Nc1ccccc1)NCc1ccc2c(c1)OCO2

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Molecular Weight: 408.52
Empirical Formula: C23H24N2O3S

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 4.709
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 4

     

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