COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565814
Chemical Name: 6-(methoxycarbonyl)-2-{(1E)-1-[(4-methoxyphenyl)iminio]propyl}-5,5-dimethyl-3-oxocyclohex-1-en-1-olate
Smiles: COC(=O)C1C(=C(/C(=[NH+]/c2ccc(cc2)OC)/CC)C(=O)CC1(C)C)[O-]

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Molecular Weight: 359.42
Empirical Formula: C20H25NO5

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 3.863
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 2

     

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