COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL166066
Chemical Name: 3-(3-ethylphenyl)-2-methyl-5-[(3-nitrophenyl)carbonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Smiles: CCc1cccc(c1)N1C(=O)N(C(=O)c2cccc(c2)[N+](=O)[O-])C2CC1(C)Oc1c2cccc1

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Molecular Weight: 457.49
Empirical Formula: C26H23N3O5

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 4.508
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 5

     

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