COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL192504
Chemical Name: 8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Smiles: COc1cc(CCN2C(=S)NC3CC2(C)Oc2c3cc(cc2)Br)ccc1OC

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Molecular Weight: 463.4
Empirical Formula: C21H23BrN2O3S

Physical State: Dry powder
Available Amount: 28 mg

Lipinsky:
logP: 4.727
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 75
Number of rings: 4

     

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