COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054499
Chemical Name: 2-({[2-ethyl-5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCc1nc2scc(c2c(=O)n1NC=C1C(=O)CC(CC1=O)(C)C)c1ccc(cc1)OC

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Molecular Weight: 451.55
Empirical Formula: C24H25N3O4S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.69
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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