COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539687
Chemical Name: 2-(4-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCCCCN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 569.71
Empirical Formula: C30H27N5O3S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 8.09
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 141
Number of rings: 7

     

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