COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546044
Chemical Name: methyl4-[3-(4-tert-butylphenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 578.75
Empirical Formula: C37H42N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.267
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 75
Number of rings: 5

     

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