General Information of the Compound
| Compound ID |
CP0894334
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| Compound Name |
5-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-1-(2-(methyl sulfonyl)ethyl)-3,4-dihydroquinolin-2(1H)-one hydrochloride
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| Structure |
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| Formula |
C17H21ClN4O4S
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| Molecular Weight |
412.899
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| Canonical SMILES |
CS(=O)(=O)CCN1C(=O)CCc2c(Oc3cc(CN)ncn3)cccc21.Cl
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| InChI |
InChI=1S/C17H20N4O4S.ClH/c1-26(23,24)8-7-21-14-3-2-4-15(13(14)5-6-17(21)22)25-16-9-12(10-18)19-11-20-16;/h2-4,9,11H,5-8,10,18H2,1H3;1H
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| InChIKey |
ZAFFQHMWNJQSCY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound