General Information of the Compound
| Compound ID |
CP0958096
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| Compound Name |
Rac-trans-(3-(4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yloxy)-5-hydroxyphenyl)(3-fluoro-4-hydroxypyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C18H18ClF4N3O4
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| Molecular Weight |
451.804
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| Canonical SMILES |
Cl.NCc1cc(Oc2cc(O)cc(C(=O)N3C[C@H](O)[C@@H](F)C3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C18H17F4N3O4.ClH/c19-13-7-25(8-14(13)27)17(28)10-3-11(26)5-12(4-10)29-16-2-9(6-23)1-15(24-16)18(20,21)22;/h1-5,13-14,26-27H,6-8,23H2;1H/t13-,14-;/m0./s1
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| InChIKey |
QAOAHORJPSYURU-IODNYQNNSA-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