COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684963
Chemical Name: 2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-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(nc1c1ccccc1)Cc1ccc(cc1Cl)Cl)C(=O)CCC2

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Molecular Weight: 648.64
Empirical Formula: C31H27Cl2N7OS2

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 7.029
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 167
Number of rings: 6

     

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