COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK336667
Chemical Name: (2E)-3-(4-chlorophenyl)-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}prop-2-enamide
Smiles: S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 453.92
Empirical Formula: C21H19ClF3N3OS

Physical State: Dry powder
Available Amount: 480 mg

Lipinsky:
logP: 6.549
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 76
Number of rings: 3

     

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