COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052964
Chemical Name: 5-(diethylammonio)-2-[(E)-({3-[3-(propan-2-yloxy)phenyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}imino)methyl]phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C)CC

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Molecular Weight: 425.55
Empirical Formula: C22H27N5O2S

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 4.63
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 108
Number of rings: 3

     

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