COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080766
Chemical Name: 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1cc(cc(c1OC)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC

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Molecular Weight: 579.49
Empirical Formula: C30H31BrN2O5

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 4.74
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 78
Number of rings: 5

     

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