COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047088
Chemical Name: 1-{11-[4-(diethylamino)phenyl]-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2,2,2-trifluoroethanone
Smiles: CCN(c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(F)(F)F)cccc2)c1ccccc1)CC

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Molecular Weight: 533.59
Empirical Formula: C31H30F3N3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.225
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 5

     

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