COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573677
Chemical Name: 8,8-dimethyl-5-[(4-methylphenyl)amino]-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)c3ccc(cc3)[N+](=O)[O-])nnc2c2c1CC(C)(C)OC2

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Molecular Weight: 528.59
Empirical Formula: C27H24N6O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.063
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 163
Number of rings: 5

     

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