COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552910
Chemical Name: 2-(2-{[3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1)n1c(SCCN2C(=O)c3c(C2=O)cccc3)nc2c(c1=O)c1CC(C)(C)OCc1s2

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Molecular Weight: 547.66
Empirical Formula: C28H25N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.376
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 142
Number of rings: 6

     

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