COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450350
Chemical Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(9H-xanthen-9-yl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1OC)CCn1c(S)nnc1C1c2ccccc2Oc2c1cccc2

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Molecular Weight: 445.54
Empirical Formula: C25H23N3O3S

Physical State: Dry powder
Available Amount: 565 mg

Lipinsky:
logP: 5.513
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 5

     

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