COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593142
Chemical Name: 2-[(3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dimethoxyphenyl)-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: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2

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Molecular Weight: 503.58
Empirical Formula: C27H25N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.608
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 7

     

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