COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683678
Chemical Name: 1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Smiles: O=C1CC(c2cccc(c2)[N+](=O)[O-])C2=C(N1c1nnc(s1)SCc1ccccc1Cl)CCCC2=O

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Molecular Weight: 527.02
Empirical Formula: C24H19ClN4O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.179
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 162
Number of rings: 5

     

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