COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025920
Chemical Name: 3-(4-tert-butylphenyl)-11-(4-methylphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)C(F)(F)F)cccc2

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Molecular Weight: 532.61
Empirical Formula: C32H31F3N2O2

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 8.338
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 49
Number of rings: 5

     

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