COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149764
Chemical Name: 3-(4-tert-butylphenyl)-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-(thiophen-2-ylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(CC2=C1C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N(C(=O)c1cccs1)c1c(N2)cccc1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 660.92
Empirical Formula: C42H48N2O3S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 10.277
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 97
Number of rings: 6

     

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