COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450357
Chemical Name: 5-[3-(2,4-dichlorophenoxy)propyl]-4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Smiles: COc1cc(ccc1OC)CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1S

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Molecular Weight: 468.4
Empirical Formula: C21H23Cl2N3O3S

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 5.973
Rotatable bonds: 11
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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