COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078141
Chemical Name: 3-(4-tert-butylphenyl)-10-hexanoyl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 565.71
Empirical Formula: C35H39N3O4

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 8.019
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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