COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK981075
Chemical Name: ethyl5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: C=CCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(=O)OC)C(=O)OCC)C

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Molecular Weight: 441.51
Empirical Formula: C22H23N3O5S

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 2.955
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 131
Number of rings: 3

     

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