COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683443
Chemical Name: 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C)c1nnc(s1)SCc1cccc(c1)C(F)(F)F

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Molecular Weight: 613.75
Empirical Formula: C29H26F3N5OS3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.346
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 174
Number of rings: 5

     

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