COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416203
Chemical Name: 2-[(2,4-dichloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Smiles: OC1=C(C(=O)CC(C1)(C)C)C(=C1C(=O)CC(CC1=O)(C)C)c1cc([N+](=O)[O-])c(cc1Cl)Cl

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Molecular Weight: 480.34
Empirical Formula: C23H23Cl2NO6

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 4.697
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 117
Number of rings: 3

     

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