COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL440828
Chemical Name: 2-{[11-(benzylsulfanyl)-4,4-dimethyl-4,5-dihydrobenzo[h][1,2,4]triazolo[4,3-c]quinazolin-1-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
Smiles: O=C(N1CCCCC1)CSc1nnc2n1c(SCc1ccccc1)nc1c2C(C)(C)Cc2c1cccc2

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Molecular Weight: 529.73
Empirical Formula: C29H31N5OS2

Physical State: Dry powder
Available Amount: 37 mg

Lipinsky:
logP: 8.204
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 113
Number of rings: 6

     

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