COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169394
Chemical Name: 3,3-dimethyl-11-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccc(c1)[N+](=O)[O-])N(c1c(N2)cccc1)C(=O)C(F)(F)F

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Molecular Weight: 459.42
Empirical Formula: C23H20F3N3O4

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 5.288
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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