COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050801
Chemical Name: 11-(3,4-dimethoxyphenyl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 569.66
Empirical Formula: C33H35N3O6

Physical State: Dry powder
Available Amount: 537 mg

Lipinsky:
logP: 6.068
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 5

     

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