COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK098970
Chemical Name: 5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[4-(propan-2-yl)benzyl]aniline
Smiles: Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccc(cc1)C(C)C)[N+](=O)[O-]

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Molecular Weight: 529.06
Empirical Formula: C26H29ClN4O4S

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 7.734
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 4

     

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