COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380686
Chemical Name: methyl4-[(1E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-en-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C(/C(=O)NC1CCCCCC1)\C#N

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Molecular Weight: 326.4
Empirical Formula: C19H22N2O3

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 3.703
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 2

     

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