COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025851
Chemical Name: 3-(1,3-benzodioxol-5-yl)-11-[2-(benzyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCO2

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Molecular Weight: 516.6
Empirical Formula: C33H28N2O4

Physical State: Dry powder
Available Amount: 705 mg

Lipinsky:
logP: 5.475
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 68
Number of rings: 7

     

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