COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905326
Chemical Name: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C(=O)N1C1CCS(=O)(=O)C1

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Saltdata: 1/2CH3COOH
Molecular Weight: 538.67
Empirical Formula: C25H22N4O4S3

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 0.463
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 156
Number of rings: 6

     

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