General Information of the Compound
| Compound ID |
CP0968625
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| Compound Name |
Rac-trans-(3-(((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)(3-fluoro-4-hydroxypyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C19H20ClF4N3O3
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| Molecular Weight |
449.832
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)N3C[C@H](O)[C@@H](F)C3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C19H19F4N3O3.ClH/c20-14-8-26(9-15(14)27)18(28)13-3-1-2-11(4-13)10-29-17-6-12(7-24)5-16(25-17)19(21,22)23;/h1-6,14-15,27H,7-10,24H2;1H/t14-,15-;/m0./s1
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| InChIKey |
APAIUQMETGPQBM-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