COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK817176
Chemical Name: 2-[(2-hydroxyethyl)amino]-9-methyl-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCCCCN1C(=S)S/C(=C\c2c(NCCO)nc3n(c2=O)cccc3C)/C1=O

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Molecular Weight: 474.65
Empirical Formula: C23H30N4O3S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.189
Rotatable bonds: 11
H-donors: 2
H-acceptors: 3
PSA: 142
Number of rings: 3

     

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