COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL296615
Chemical Name: 2-(4-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
Smiles: CC(=C)Cn1c(SCCCCN2C(=O)c3c(C2=O)cccc3)nc2c(c1=O)c1CCCCc1s2

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Molecular Weight: 493.65
Empirical Formula: C26H27N3O3S2

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 6.417
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 5

     

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