General Information of the Compound
| Compound ID |
CP0944243
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| Compound Name |
2-(5-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-2-oxo-3,4-dihydroquinolin-1 (2H)-yl)acetic acid hydrochloride
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| Structure |
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| Formula |
C16H17ClN4O4
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| Molecular Weight |
364.789
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc3c2CCC(=O)N3CC(=O)O)ncn1
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| InChI |
InChI=1S/C16H16N4O4.ClH/c17-7-10-6-14(19-9-18-10)24-13-3-1-2-12-11(13)4-5-15(21)20(12)8-16(22)23;/h1-3,6,9H,4-5,7-8,17H2,(H,22,23);1H
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| InChIKey |
ORYWHROJSBDGNB-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