COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023716
Chemical Name: 3-(4-chlorophenyl)-11-(3-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl

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Molecular Weight: 444.96
Empirical Formula: C27H25ClN2O2

Physical State: Dry powder
Available Amount: 539 mg

Lipinsky:
logP: 5.085
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 50
Number of rings: 5

     

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