COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548492
Chemical Name: (5E)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1c2c(CCN(C2CN/C=C/2\C(=O)N=C(N(C2=O)c2ccc(cc2)C)S)C)cc2c1OCO2

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Molecular Weight: 494.57
Empirical Formula: C25H26N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.644
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 5

     

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