COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL308080
Chemical Name: 2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-bromophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1=O)cccc2

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Molecular Weight: 495.35
Empirical Formula: C23H15BrN2O4S

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 4.921
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 93
Number of rings: 5

     

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