COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039800
Chemical Name: 2,2,2-trifluoro-1-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(o2)c2cccc(c2)[N+](=O)[O-])C(=O)C(F)(F)F)cccc3)CC(C1)(C)C

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Molecular Weight: 525.48
Empirical Formula: C27H22F3N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.901
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 5

     

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