COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL360886
Chemical Name: 2-{5-[4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]pentyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: C=CCn1c(CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)n[nH]c1=S

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 1.675
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 4

     

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