COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK327013
Chemical Name: 10-bromo-6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Smiles: COc1ccc(cc1)/C=C/C1Nc2ccc(cc2c2c(O1)nc(SC)nn2)Br

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Molecular Weight: 457.35
Empirical Formula: C20H17BrN4O2S

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 5.099
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 4

     

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