COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL024907
Chemical Name: 2- {[5- (5- bromo- 2- hydroxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dimethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1c1cc(Br)ccc1O

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Molecular Weight: 473.39
Empirical Formula: C21H21BrN4O2S

Available Amount: 0 mg

Lipinsky:
logP: 7.095
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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