COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677946
Chemical Name: 3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)[N+](=O)[O-])C(=O)/C=C/c1ccccc1

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Molecular Weight: 601.66
Empirical Formula: C36H31N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.908
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 6

     

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