COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK471996
Chemical Name: 3-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylicacid
Smiles: CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=C3)sc2c1CCC(C2)C

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Molecular Weight: 417.53
Empirical Formula: C22H27NO5S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 5.543
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 5

     

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