COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL360588
Chemical Name: ethyl2-{[1-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)N/C(=C/1\C(=O)c2c(C1=O)cccc2)/C

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Molecular Weight: 395.48
Empirical Formula: C22H21NO4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.022
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 4

     

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