COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK778465
Chemical Name: 2-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1cn(nc1C)CC)C(=O)CCC2

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Molecular Weight: 455.61
Empirical Formula: C21H25N7OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.297
Rotatable bonds: 4
H-donors: 2
H-acceptors: 1
PSA: 167
Number of rings: 4

     

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