COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881440
Chemical Name: 2-(4-bromophenoxy)-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(Oc3ccc(cc3)Br)nc3n(c2=O)cccc3)/C1=O

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Saltdata: 1/3CH3COOH
Molecular Weight: 502.41
Empirical Formula: C21H16BrN3O3S2

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 3.829
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 119
Number of rings: 4

     

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