COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456854
Chemical Name: methyl2-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=S)Nc1sc2c(c1C(=O)OC)CCC(C2)C

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Molecular Weight: 435.52
Empirical Formula: C19H21N3O5S2

Physical State: Dry powder
Available Amount: 760 mg

Lipinsky:
logP: 6.431
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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