COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080261
Chemical Name: 11-(3-bromo-4,5-dimethoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1c(Br)cc(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1

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Molecular Weight: 505.41
Empirical Formula: C27H25BrN2O3

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 4.472
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 59
Number of rings: 5

     

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