COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780622
Chemical Name: 1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Smiles: C=CCn1c2ccccc2c2c1nc(SCCCC(=O)c1ccc(cc1)C(C)(C)C)nn2

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Molecular Weight: 444.6
Empirical Formula: C26H28N4OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.608
Rotatable bonds: 7
H-donors: 0
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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