COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003537
Chemical Name: (5E)-1-butyl-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=S)NC(=O)/C(=C\NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O

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Molecular Weight: 460.55
Empirical Formula: C22H28N4O5S

Available Amount: 0 mg

Lipinsky:
logP: 2.581
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 124
Number of rings: 4

     

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