COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446341
Chemical Name: methyl2-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc(c2)O)sc2c1CCCC2

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Molecular Weight: 431.58
Empirical Formula: C21H25N3O3S2

Physical State: Dry powder
Available Amount: 690 mg

Lipinsky:
logP: 4.57
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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