COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136745
Chemical Name: 3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCOc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C

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Molecular Weight: 404.55
Empirical Formula: C26H32N2O2

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 5.452
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 50
Number of rings: 4

     

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