General Information of the Compound
| Compound ID |
CP0903896
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| Compound Name |
2-(5-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetic acid hydrochloride
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| Structure |
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| Formula |
C18H17ClF3N3O4
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| Molecular Weight |
431.798
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc3c2CCC(=O)N3CC(=O)O)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C18H16F3N3O4.ClH/c19-18(20,21)14-6-10(8-22)7-15(23-14)28-13-3-1-2-12-11(13)4-5-16(25)24(12)9-17(26)27;/h1-3,6-7H,4-5,8-9,22H2,(H,26,27);1H
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| InChIKey |
YJHCGJCAXZZSHT-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