General Information of the Compound
| Compound ID |
CP0399532
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| Compound Name |
(4S)-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C24H20F2N4O3
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| Molecular Weight |
450.445
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| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F
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| InChI |
InChI=1S/C24H20F2N4O3/c25-19-12-15(30-6-8-31-9-7-30)11-18-21(19)33-20-4-3-14(16-2-1-5-28-22(16)26)10-17(20)24(18)13-32-23(27)29-24/h1-5,10-12H,6-9,13H2,(H2,27,29)/t24-/m0/s1
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| InChIKey |
IWIBSPRXMYPEGW-DEOSSOPVSA-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
Protein ID: PT01020, Beta-secretase 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2