COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK715972
Chemical Name: methyl2-{[(1Z)-3-(butylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoate
Smiles: CCCCNC(=O)/C(=C\Nc1ccccc1C(=O)OC)/C#N

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Molecular Weight: 301.35
Empirical Formula: C16H19N3O3

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 2.693
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 1

     

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