COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980205
Chemical Name: 1-[3-(butylsulfanyl)-6-(3-chlorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCSc1nnc2c(n1)OC(c1cccc(c1)Cl)N(c1c2cccc1)C(=O)C

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Molecular Weight: 440.95
Empirical Formula: C22H21ClN4O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.747
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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