COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL355671
Chemical Name: 2-chloro-5-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoicacid
Smiles: S=C(Nc1ccc(c(c1)C(=O)O)Cl)NC(=O)/C=C/c1ccc(cc1)C(C)C

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Molecular Weight: 402.9
Empirical Formula: C20H19ClN2O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.699
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 110
Number of rings: 2

     

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