COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK423074
Chemical Name: 6-tert-butyl-2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCC(C2)C(C)(C)C)N1C(=O)C2C(C1=O)C1C(=C(C)C)C2CC1

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Molecular Weight: 422.59
Empirical Formula: C25H30N2O2S

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 5.095
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 5

     

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