COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040813
Chemical Name: 4-[3-(4-tert-butylphenyl)-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 567.64
Empirical Formula: C33H33N3O6

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 5.7
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 132
Number of rings: 5

     

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