COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555160
Chemical Name: 3-ethyl-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

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Molecular Weight: 426.5
Empirical Formula: C21H22N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.928
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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