COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563611
Chemical Name: 2-[(2-butanoyl-3-oxocyclohex-1-en-1-yl)ammonio]propanoate
Smiles: CCCC(=O)C1=C(CCCC1=O)[NH2+]C(C(=O)[O-])C

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Molecular Weight: 253.3
Empirical Formula: C13H19NO4

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 1.131
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 90
Number of rings: 1

     

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