COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK792878
Chemical Name: 11-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C

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Molecular Weight: 527.62
Empirical Formula: C31H33N3O5

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 5.454
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 105
Number of rings: 5

     

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