COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK176891
Chemical Name: (4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C

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Molecular Weight: 375.38
Empirical Formula: C21H17N3O4

Physical State: Dry powder
Available Amount: 232 mg

Lipinsky:
logP: 3.207
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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