COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK862025
Chemical Name: (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)prop-2-enamide
Smiles: N#Cc1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/c2ccccc2)sc2c1CCCC2

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Molecular Weight: 513.9
Empirical Formula: C21H19Cl3N4OS2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.815
Rotatable bonds: 3
H-donors: 3
H-acceptors: 1
PSA: 137
Number of rings: 3

     

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