COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811539
Chemical Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/C1=O)C

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Saltdata: 1/6CH3COOH
Molecular Weight: 563.7
Empirical Formula: C28H29N5O4S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 2.583
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 135
Number of rings: 6

     

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