COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549030
Chemical Name: 2-{5-[(Z)-(1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: CCCCCCN1C(=S)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

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Molecular Weight: 505.59
Empirical Formula: C27H27N3O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.22
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 128
Number of rings: 4

     

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