COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807101
Chemical Name: 2-(2-{[4-(4-methoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1)n1c(SCCN2C(=O)c3c(C2=O)cccc3)nnc1c1cccs1

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Molecular Weight: 462.55
Empirical Formula: C23H18N4O3S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.22
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 5

     

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