General Information of the Compound
| Compound ID |
CP0381661
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| Compound Name |
(4S)-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2'-[(3S)-3-fluoropyrrolidin-1-yl]spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C24H19F3N4O2
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| Molecular Weight |
452.436
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| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CC[C@H](F)C1)-c1cccnc1F
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| InChI |
InChI=1S/C24H19F3N4O2/c25-14-5-7-31(11-14)15-9-18-21(19(26)10-15)33-20-4-3-13(16-2-1-6-29-22(16)27)8-17(20)24(18)12-32-23(28)30-24/h1-4,6,8-10,14H,5,7,11-12H2,(H2,28,30)/t14-,24-/m0/s1
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| InChIKey |
QACXZFDNMSEDFG-BSEYFRJRSA-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