COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357504
Chemical Name: 10-acetyl-11-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2cccc(c2)[N+](=O)[O-])Nc2c(N1C(=O)C)cccc2

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Molecular Weight: 513.55
Empirical Formula: C29H27N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.942
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 5

     

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