COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816967
Chemical Name: 2-(ethylamino)-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(NCC)nc3n(c2=O)cccc3C)/C1=O

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Molecular Weight: 458.65
Empirical Formula: C23H30N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.825
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 122
Number of rings: 3

     

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