COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683698
Chemical Name: 2-amino-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)Cl)C2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2

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Molecular Weight: 551.05
Empirical Formula: C25H19ClN6O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.58
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 195
Number of rings: 5

     

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