General Information of the Compound
| Compound ID |
CP0511976
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| Compound Name |
(4S)-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2'-(1-methylpyrazol-4-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C24H17F2N5O2
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| Molecular Weight |
445.429
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F
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| InChI |
InChI=1S/C24H17F2N5O2/c1-31-11-15(10-29-31)14-8-18-21(19(25)9-14)33-20-5-4-13(16-3-2-6-28-22(16)26)7-17(20)24(18)12-32-23(27)30-24/h2-11H,12H2,1H3,(H2,27,30)/t24-/m0/s1
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| InChIKey |
IFYBRJDTTGNRIE-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