COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076160
Chemical Name: 4-[2-({[4-(4-tert-butylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 470.68
Empirical Formula: C26H38N4O2S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 2.853
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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