COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372375
Chemical Name: (5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 409.47
Empirical Formula: C21H19N3O4S

Physical State: Dry powder
Available Amount: 523 mg

Lipinsky:
logP: 3.476
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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