COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560917
Chemical Name: 1-[1-hydroxy-11-(4-methoxyphenyl)-3-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CC)cccc2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 497.55
Empirical Formula: C29H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.515
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 5

     

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