COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807759
Chemical Name: 2-(3-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: C=CCn1c(SCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1c1cccs1

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Molecular Weight: 460.58
Empirical Formula: C24H20N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.789
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 5

     

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