General Information of the Compound
| Compound ID |
CP0444116
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| Compound Name |
(4aR,10R,10aR)-8-(2-fluoropyridin-3-yl)-10a-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C20H20FN3O3
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| Molecular Weight |
369.396
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| Canonical SMILES |
C[C@@]12COCC[C@H]1Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccnc1F
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| InChI |
InChI=1S/C20H20FN3O3/c1-19-10-25-8-6-16(19)27-15-5-4-12(13-3-2-7-23-17(13)21)9-14(15)20(19)11-26-18(22)24-20/h2-5,7,9,16H,6,8,10-11H2,1H3,(H2,22,24)/t16-,19-,20+/m1/s1
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| InChIKey |
LLSLXWZPKRKVTK-AHRSYUTCSA-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