General Information of the Compound
| Compound ID |
CP0419491
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| Compound Name |
(4S)-4'-fluoro-2'-(2-fluoro-2-methylpropoxy)-7'-(2-fluoropyridin-3-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C24H20F3N3O3
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| Molecular Weight |
455.436
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| Canonical SMILES |
CC(C)(F)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F
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| InChI |
InChI=1S/C24H20F3N3O3/c1-23(2,27)11-31-14-9-17-20(18(25)10-14)33-19-6-5-13(15-4-3-7-29-21(15)26)8-16(19)24(17)12-32-22(28)30-24/h3-10H,11-12H2,1-2H3,(H2,28,30)/t24-/m0/s1
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| InChIKey |
FINMGPWGVROOTC-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