COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683617
Chemical Name: 2-amino-4-(2,3-dimethoxyphenyl)-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(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C1c1cccc(c1OC)OC)C(=O)CCC2

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Molecular Weight: 599.66
Empirical Formula: C28H24F3N5O3S2

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 5.564
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 167
Number of rings: 5

     

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