COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514263
Chemical Name: N-{(1Z)-1-[2-hydroxy-3-(methoxycarbonyl)-4,4-dimethyl-6-oxocyclohex-2-en-1-ylidene]butyl}glycine
Smiles: CCC/C(=C\1/C(=O)CC(C(=C1O)C(=O)OC)(C)C)/NCC(=O)O

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Molecular Weight: 325.36
Empirical Formula: C16H23NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.354
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 112
Number of rings: 1

     

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