COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031439
Chemical Name: 11-(6-nitro-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1[N+](=O)[O-])c1cccs1

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Molecular Weight: 461.5
Empirical Formula: C24H19N3O5S

Physical State: Dry powder
Available Amount: 251 mg

Lipinsky:
logP: 3.722
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 6

     

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