COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521663
Chemical Name: {6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}(phenyl)methanone
Smiles: CSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(c(c1)Cl)C)N(c1c2cccc1)C(=O)c1ccccc1

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Molecular Weight: 541.03
Empirical Formula: C29H21ClN4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.404
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 6

     

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