COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK347346
Chemical Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide
Smiles: N#Cc1c(NC(=S)NC(=O)c2cccc(c2C)[N+](=O)[O-])sc2c1CCC(C2)C

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Molecular Weight: 414.51
Empirical Formula: C19H18N4O3S2

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 5.287
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 171
Number of rings: 3

     

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