COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL566549
Chemical Name: 2-hydroxy-3-[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]quinazolin-4(3H)-one
Smiles: CSCCC(n1c(O)nc2c(c1=O)cccc2)C(=O)N1CCC2(C(C1)CCCC2)O

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Molecular Weight: 431.56
Empirical Formula: C22H29N3O4S

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 2.412
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 118
Number of rings: 4

     

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