COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038488
Chemical Name: 2-{2-methoxy-5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]benzyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)N=C(N(C1=O)C)S

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Molecular Weight: 435.46
Empirical Formula: C22H17N3O5S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.008
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 135
Number of rings: 4

     

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