COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807753
Chemical Name: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)nnc1COc1cccc2c1nccc2

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Molecular Weight: 544.72
Empirical Formula: C31H36N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.465
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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