COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600322
Chemical Name: 5-[4-(dimethylamino)phenyl]-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)c(cc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)N(C)C)OC

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Molecular Weight: 413.5
Empirical Formula: C20H23N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.548
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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