COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369362
Chemical Name: methyl2-{[(2,2,2-trichloro-1-{[(2E)-3-phenylprop-2-enoyl]amino}ethyl)carbamothioyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 486.81
Empirical Formula: C20H18Cl3N3O3S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 6.303
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 111
Number of rings: 2

     

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