COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294939
Chemical Name: 2-(2-chloro-5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzyl)-1H-isoindole-1,3(2H)-dione
Smiles: S=C1NC(=O)C(=CNc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)Cl)C(=O)N1

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Molecular Weight: 440.87
Empirical Formula: C20H13ClN4O4S

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 2.745
Rotatable bonds: 1
H-donors: 3
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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