COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045774
Chemical Name: 1-[11-(4-butoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
Smiles: CCCCOc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(F)(F)F)cccc2)c1ccccc1

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Molecular Weight: 534.58
Empirical Formula: C31H29F3N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.563
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 5

     

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