COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097786
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(c1c[nH]c2c1cccc2)C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 407.51
Empirical Formula: C25H29NO4

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.107
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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