COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803997
Chemical Name: ethyl2-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccc3c(c2)OCO3)\C#N)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 535.69
Empirical Formula: C28H29N3O4S2

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 9.561
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 149
Number of rings: 5

     

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