COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057316
Chemical Name: 5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-]

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Molecular Weight: 538.71
Empirical Formula: C29H38N4O4S

Physical State: Dry powder
Available Amount: 371 mg

Lipinsky:
logP: 8.226
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 7

     

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