COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149589
Chemical Name: 2-{4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1nc(nc2)[NH+]1CCN(CC1)C(=S)Nc1ccc(cc1)Cl

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Molecular Weight: 472.96
Empirical Formula: C21H21ClN6O3S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.016
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 138
Number of rings: 4

     

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