COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819475
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)/C1=O)C

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Molecular Weight: 494.6
Empirical Formula: C24H22N4O4S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 2.182
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 5

     

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