General Information of the Compound
| Compound ID |
CP0961394
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| Compound Name |
5-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-3,4-dihydroquinolin-2(1H)-one
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| Structure |
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| Formula |
C15H18N4O5S
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| Molecular Weight |
366.399
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| Canonical SMILES |
CS(=O)(=O)O.NCc1cc(Oc2cccc3c2CCC(=O)N3)ncn1
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| InChI |
InChI=1S/C14H14N4O2.CH4O3S/c15-7-9-6-14(17-8-16-9)20-12-3-1-2-11-10(12)4-5-13(19)18-11;1-5(2,3)4/h1-3,6,8H,4-5,7,15H2,(H,18,19);1H3,(H,2,3,4)
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| InChIKey |
KIFABPXRBMTDJX-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