COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147272
Chemical Name: ethyl2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)NC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C

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Molecular Weight: 417.53
Empirical Formula: C22H27NO5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.661
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 4

     

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