COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044254
Chemical Name: 2-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
Smiles: O=C1CC(CC(=O)/C/1=C\NCc1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 349.39
Empirical Formula: C21H19NO4

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 2.74
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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