COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039907
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]ethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2cccc(c2)[N+](=O)[O-])C(=O)C)cccc3)CC(C1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 509.6
Empirical Formula: C31H31N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.757
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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