COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170198
Chemical Name: N-[3-({[(2,4-dinitrophenyl)carbonyl]amino}methyl)-3,5,5-trimethylcyclohexyl]-2,4-dinitrobenzamide
Smiles: O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])NCC1(C)CC(NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])CC(C1)(C)C

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Molecular Weight: 558.5
Empirical Formula: C24H26N6O10

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 5.486
Rotatable bonds: 5
H-donors: 2
H-acceptors: 10
PSA: 241
Number of rings: 3

     

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