COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044606
Chemical Name: 2-[(3-chlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: Clc1cccc(c1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 402.92
Empirical Formula: C23H27ClO4

Physical State: Dry powder
Available Amount: 409 mg

Lipinsky:
logP: 4.778
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 3

     

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