COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK976738
Chemical Name: 2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-tert-butylphenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)C(C)(C)C)nnc1COc1ccc(cc1)Br

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Saltdata: HBr
Molecular Weight: 500.46
Empirical Formula: C24H26BrN3O2S

Available Amount: 0 mg

Lipinsky:
logP: 7.342
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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