COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK469953
Chemical Name: (2E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cn1nc(cc1C)C)OC)/C(=O)Nc1ccc2c(c1)OCCO2

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Molecular Weight: 444.49
Empirical Formula: C25H24N4O4

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 3.855
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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