COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL559436
Chemical Name: (5E)-6-hydroxy-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)-2-thioxo-3-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrimidin-4(3H)-one
Smiles: COc1cc(cc(c1OC)OC)N1C(=S)N=C(/C(=C\NCCN2CCCCC2)/C1=O)O

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Molecular Weight: 448.54
Empirical Formula: C21H28N4O5S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 1.676
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 3

     

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