COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050161
Chemical Name: 3-(4-chlorophenyl)-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: Clc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 489.91
Empirical Formula: C26H20ClN3O5

Physical State: Dry powder
Available Amount: 550 mg

Lipinsky:
logP: 4.639
Rotatable bonds: 1
H-donors: 2
H-acceptors: 5
PSA: 105
Number of rings: 6

     

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