COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205983
Chemical Name: N-benzyl-2-nitro-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline
Smiles: [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCC2

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Molecular Weight: 506.63
Empirical Formula: C27H30N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.224
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 5

     

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