COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421674
Chemical Name: propan-2-yl6-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C

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Molecular Weight: 416.5
Empirical Formula: C21H24N2O5S

Physical State: Dry powder
Available Amount: 2390 mg

Lipinsky:
logP: 7.458
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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