COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473266
Chemical Name: 2-{[5-(4-butoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyanothiophen-2-yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2sccc2C#N)nnc1c1ccc(cc1)OCCCC

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Molecular Weight: 453.59
Empirical Formula: C22H23N5O2S2

Physical State: Dry powder
Available Amount: 329 mg

Lipinsky:
logP: 5.763
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 146
Number of rings: 3

     

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