COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK510729
Chemical Name: 1-(5-{2-[(2,4-dichlorobenzyl)oxy]phenyl}-4-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone
Smiles: Clc1ccc(c(c1)Cl)COc1ccccc1C1N(N=C(N1c1ccc(cc1)N(C)C)C(=O)C)c1ccccc1

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Molecular Weight: 559.49
Empirical Formula: C31H28Cl2N4O2

Physical State: Dry powder
Available Amount: 227 mg

Lipinsky:
logP: 6.539
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 48
Number of rings: 5

     

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