COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683446
Chemical Name: 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-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(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1nnc(s1)SCc1cccc(c1)C(F)(F)F

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Molecular Weight: 612.66
Empirical Formula: C28H23F3N6O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.59
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 195
Number of rings: 5

     

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