COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521875
Chemical Name: 3-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenylacetate
Smiles: CCSc1nnc2c(n1)OC(c1cccc(c1)OC(=O)C)N(c1c2cccc1)C(=O)C

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Molecular Weight: 436.49
Empirical Formula: C22H20N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.426
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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