COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK915738
Chemical Name: ethyl4-amino-5-cyano-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-2,4-diene-1-carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C21CCCCC2)C#N)N)SCC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 456.52
Empirical Formula: C22H24N4O5S

Available Amount: 0 mg

Lipinsky:
logP: 4.662
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 176
Number of rings: 3

     

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