General Information of the Compound
| Compound ID |
CP0969807
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-((3S,4S)-4-hydroxytetrahydro-2H-pyran-3-yl)benzamide hydrochloride
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| Structure |
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| Formula |
C19H21ClF3N3O4
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| Molecular Weight |
447.841
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N[C@H]3COCC[C@@H]3O)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C19H20F3N3O4.ClH/c20-19(21,22)16-6-11(9-23)7-17(25-16)29-13-3-1-2-12(8-13)18(27)24-14-10-28-5-4-15(14)26;/h1-3,6-8,14-15,26H,4-5,9-10,23H2,(H,24,27);1H/t14-,15-;/m0./s1
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| InChIKey |
IPZJKIPIIGMPSX-YYLIZZNMSA-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