COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021203
Chemical Name: N-ethyl-4-[2-({[4-(4-methylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccc(cc1)C

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Molecular Weight: 428.6
Empirical Formula: C23H32N4O2S

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 1.625
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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