COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038077
Chemical Name: (5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C/NCc2ccc3c(c2)OCO3)/C1=O)S

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Molecular Weight: 361.42
Empirical Formula: C17H19N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.843
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 119
Number of rings: 3

     

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