COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043436
Chemical Name: 6-(methoxycarbonyl)-2-{(1E)-1-[(4-methoxyphenyl)iminio]butyl}-5,5-dimethyl-3-oxocyclohex-1-en-1-olate
Smiles: CCC/C(=[NH+]\c1ccc(cc1)OC)/C1=C([O-])C(C(CC1=O)(C)C)C(=O)OC

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Molecular Weight: 373.45
Empirical Formula: C21H27NO5

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.394
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 2

     

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