COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148752
Chemical Name: 2-nitro-5-{4-[(3-nitrophenyl)sulfonyl]piperazin-1-yl}-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
Smiles: CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 569.68
Empirical Formula: C28H35N5O6S

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 7.99
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 152
Number of rings: 7

     

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