COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK363865
Chemical Name: 3-(3,4-dimethoxyphenyl)-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 515.52
Empirical Formula: C28H25N3O7

Physical State: Dry powder
Available Amount: 517 mg

Lipinsky:
logP: 3.781
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 123
Number of rings: 6

     

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