COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583143
Chemical Name: 2-[(3aR,4R,4aR,7aS,8R,8aR)-3-(2-chlorophenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccccc1Cl

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Molecular Weight: 477.97
Empirical Formula: C25H20ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.492
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 7

     

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