General Information of the Compound
| Compound ID |
CP0420917
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| Compound Name |
(4aS,10R,10aS)-4a-methyl-8-pyrimidin-5-ylspiro[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 |
C19H20N4O3
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| Molecular Weight |
352.394
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| Canonical SMILES |
C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncnc1
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| InChI |
InChI=1S/C19H20N4O3/c1-18-4-5-24-9-16(18)19(10-25-17(20)23-19)14-6-12(2-3-15(14)26-18)13-7-21-11-22-8-13/h2-3,6-8,11,16H,4-5,9-10H2,1H3,(H2,20,23)/t16-,18-,19-/m0/s1
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| InChIKey |
ADNNRZBATPWJKB-WDSOQIARSA-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