COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681995
Chemical Name: 1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethanone
Smiles: O=C(N1CCN(CC1)C12CC3CC(C2)CC(C1)C3)CSc1nc2c3ccccc3CCc2c(n1)C(F)(F)F

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Molecular Weight: 542.67
Empirical Formula: C29H33F3N4OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.228
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 74
Number of rings: 8

     

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