COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521849
Chemical Name: 1-{3-[(2-chlorobenzyl)sulfanyl]-6-[3-(cyclopentyloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Smiles: CC(=O)N1c2ccccc2c2c(OC1c1cccc(c1)OC1CCCC1)nc(nn2)SCc1ccccc1Cl

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Molecular Weight: 559.09
Empirical Formula: C30H27ClN4O3S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 7.34
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 6

     

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