COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK008061
Chemical Name: 1-[11-(3,4-dimethoxyphenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
Smiles: COc1cc(ccc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(F)(F)F)cccc2)c1ccccc1

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Molecular Weight: 522.52
Empirical Formula: C29H25F3N2O4

Physical State: Dry powder
Available Amount: 412 mg

Lipinsky:
logP: 6.79
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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