COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980739
Chemical Name: 5-(4-hydroxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Smiles: Oc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 476.51
Empirical Formula: C24H20N4O5S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 2.178
Rotatable bonds: 3
H-donors: 3
H-acceptors: 5
PSA: 161
Number of rings: 5

     

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