COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044855
Chemical Name: [3-(4-tert-butylphenyl)-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](thiophen-2-yl)methanone
Smiles: OC1=C2C(=Nc3c(N(C2c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C(=O)c2cccs2)cccc3)CC(C1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 660.92
Empirical Formula: C42H48N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 11.141
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 101
Number of rings: 6

     

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