COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150367
Chemical Name: 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Smiles: CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C(C)(C)C)C1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 565.71
Empirical Formula: C35H39N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.882
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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