General Information of the Compound
| Compound ID |
CP0473437
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| Compound Name |
(4aS,10R,10aS)-8-(5-chloropyridin-3-yl)-7-fluoro-4a-methylspiro[1,3,4,10a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C20H19ClFN3O3
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| Molecular Weight |
403.841
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| Canonical SMILES |
C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(c(F)cc1O2)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C20H19ClFN3O3/c1-19-2-3-26-9-17(19)20(10-27-18(23)25-20)14-5-13(15(22)6-16(14)28-19)11-4-12(21)8-24-7-11/h4-8,17H,2-3,9-10H2,1H3,(H2,23,25)/t17-,19-,20-/m0/s1
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| InChIKey |
FZVRFUGGFKLGMD-IHPCNDPISA-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