COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038377
Chemical Name: 4-({[(1-imino-9,9-dimethyl-2,5-diphenyl-6-thioxo-2,5,6,7,9,10-hexahydro-1H-pyrano[4',3':4,5]pyrido[2,3-d]pyrimidin-4-ium-3-yl)sulfanyl]acetyl}amino)phenolate
Smiles: O=C(Nc1ccc(cc1)[O-])CSc1[nH+]c2c(c(=N)n1c1ccccc1)c1CC(C)(C)OCc1c(=S)n2c1ccccc1

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Molecular Weight: 595.75
Empirical Formula: C32H29N5O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.468
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 163
Number of rings: 6

     

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