COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186053
Chemical Name: 4-({2-[(1E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-en-1-yl]phenoxy}methyl)benzoicacid
Smiles: N#C/C(=C\c1ccccc1OCc1ccc(cc1)C(=O)O)/C(=O)NC(C)C

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Molecular Weight: 364.4
Empirical Formula: C21H20N2O4

Physical State: Dry powder
Available Amount: 227 mg

Lipinsky:
logP: 3.317
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 2

     

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