COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK655214
Chemical Name: 4-{2-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-1-(pyrimidin-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccccc1OCc1ccccc1Cl)c(nn2c1ncccn1)C

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Molecular Weight: 477.97
Empirical Formula: C24H20ClN5O2S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.951
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 110
Number of rings: 5

     

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