COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100661
Chemical Name: 3-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(Nc1cccc(c1)C(=O)O)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 326.38
Empirical Formula: C17H14N2O3S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.821
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 110
Number of rings: 2

     

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