COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041806
Chemical Name: 3-(3,4-dimethoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)C(F)(F)F

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Molecular Weight: 494.51
Empirical Formula: C28H25F3N2O3

Physical State: Dry powder
Available Amount: 506 mg

Lipinsky:
logP: 4.352
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 59
Number of rings: 5

     

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