COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071388
Chemical Name: 3-(4-tert-butylphenyl)-10-hexanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 588.71
Empirical Formula: C36H39F3N2O2

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 8.861
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 49
Number of rings: 5

     

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