COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544324
Chemical Name: 2-{2-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCCCCC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 522.62
Empirical Formula: C28H30N2O6S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 4.254
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 101
Number of rings: 5

     

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