COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568791
Chemical Name: (5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C/NCc3ccc4c(c3)OCO4)/C2=O)O)ccc1OC

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Molecular Weight: 453.45
Empirical Formula: C23H23N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.141
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 118
Number of rings: 4

     

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