COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980217
Chemical Name: 1-[3-(prop-2-en-1-ylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: C=CCSc1nnc2c(n1)OC(c1cccs1)N(c1c2cccc1)C(=O)CC

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Molecular Weight: 410.52
Empirical Formula: C20H18N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.595
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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