COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095782
Chemical Name: 4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]benzonitrile
Smiles: N#Cc1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 393.48
Empirical Formula: C24H27NO4

Physical State: Dry powder
Available Amount: 412 mg

Lipinsky:
logP: 3.62
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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