COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800119
Chemical Name: ethyl2-({(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2c(Oc3ccc(cc3)C(C)(C)C)nc3n(c2=O)cccc3)/C#N)sc2c1CCCC2

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Molecular Weight: 596.71
Empirical Formula: C33H32N4O5S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 8.591
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 149
Number of rings: 5

     

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