COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082104
Chemical Name: 3-(1,3-benzodioxol-5-yl)-11-(2-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1ccccc1C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc2c(c1)OCO2

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Molecular Weight: 454.53
Empirical Formula: C28H26N2O4

Physical State: Dry powder
Available Amount: 709 mg

Lipinsky:
logP: 4.351
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 68
Number of rings: 6

     

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