COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL145345
Chemical Name: ethyl2-({[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1NC(=S)N1CCN(CC1)c1cccc(c1C)C

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Molecular Weight: 397.54
Empirical Formula: C22H27N3O2S

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 4.79
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 76
Number of rings: 3

     

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