COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522162
Chemical Name: 1-{6-[5-(4-bromophenyl)furan-2-yl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Smiles: CCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)Br)N(c1c2cccc1)C(=O)CC

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Molecular Weight: 537.44
Empirical Formula: C25H21BrN4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.474
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 5

     

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