COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071997
Chemical Name: 10-acetyl-3-(4-tert-butylphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(C(=O)C)c1c(N2)cccc1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 509.6
Empirical Formula: C31H31N3O4

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 5.894
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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