COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683721
Chemical Name: 7,7-dimethyl-4-(3-nitrophenyl)-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Smiles: O=C1CC(c2cccc(c2)[N+](=O)[O-])C2=C(N1c1nnc(s1)SCc1cccc(c1)C(F)(F)F)CC(CC2=O)(C)C

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Molecular Weight: 588.63
Empirical Formula: C27H23F3N4O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.189
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 162
Number of rings: 5

     

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