General Information of the Compound
| Compound ID |
CP0883981
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| Compound Name |
Rac-trans-(3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-5-methoxyphenyl)(3-fluoro-4-hydroxypyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C19H20ClF4N3O4
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| Molecular Weight |
465.831
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| Canonical SMILES |
COc1cc(Oc2cc(CN)cc(C(F)(F)F)n2)cc(C(=O)N2C[C@H](O)[C@@H](F)C2)c1.Cl
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| InChI |
InChI=1S/C19H19F4N3O4.ClH/c1-29-12-4-11(18(28)26-8-14(20)15(27)9-26)5-13(6-12)30-17-3-10(7-24)2-16(25-17)19(21,22)23;/h2-6,14-15,27H,7-9,24H2,1H3;1H/t14-,15-;/m0./s1
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| InChIKey |
XCTAREUHNQEMME-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