COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097972
Chemical Name: 4-[11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1C(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C2=C(Nc3c1cccc3)CC(CC2=O)(C)C

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Molecular Weight: 546.71
Empirical Formula: C33H42N2O5

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 6.29
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 106
Number of rings: 4

     

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