COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164816
Chemical Name: dimethyl5-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)N2CCN(CC2)c2cccc(c2)O)cc(c1)C(=O)OC

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Molecular Weight: 429.5
Empirical Formula: C21H23N3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.404
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 123
Number of rings: 3

     

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