COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013517
Chemical Name: N-ethyl-4-[2-({[4-(4-methoxyphenyl)-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)OC

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Molecular Weight: 444.6
Empirical Formula: C23H32N4O3S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 1.08
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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