COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK110704
Chemical Name: 4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoicacid
Smiles: COc1ccc(cc1NC(=S)NC(=O)/C=C/c1ccc(cc1)C(C)C)C(=O)O

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Molecular Weight: 398.48
Empirical Formula: C21H22N2O4S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 5.207
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 119
Number of rings: 2

     

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