COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051890
Chemical Name: 3-(3,4-dimethoxyphenyl)-11-(4-ethylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC

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Molecular Weight: 454.57
Empirical Formula: C29H30N2O3

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 4.772
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 59
Number of rings: 5

     

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