COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149687
Chemical Name: 4-[2-({[4-(3,4-dimethoxyphenyl)-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(c(c1)OC)OC

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Molecular Weight: 474.62
Empirical Formula: C24H34N4O4S

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 0.902
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 3

     

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