COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904566
Chemical Name: 3-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(octylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1

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Saltdata: 1/4CH3COOH
Molecular Weight: 548.75
Empirical Formula: C25H32N4O4S3

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 2.181
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 164
Number of rings: 4

     

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