General Information of the Compound
| Compound ID |
CP0414355
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| Compound Name |
(4aR,10R,10aS)-8-(2-fluoropyridin-3-yl)spiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C19H18FN3O3
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| Molecular Weight |
355.369
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| Canonical SMILES |
NC1=N[C@]2(CO1)[C@@H]1OCCC[C@H]1Oc1ccc(cc21)-c1cccnc1F
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| InChI |
InChI=1S/C19H18FN3O3/c20-17-12(3-1-7-22-17)11-5-6-14-13(9-11)19(10-25-18(21)23-19)16-15(26-14)4-2-8-24-16/h1,3,5-7,9,15-16H,2,4,8,10H2,(H2,21,23)/t15-,16-,19+/m1/s1
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| InChIKey |
QSFQLALULVEZLV-MDZRGWNJSA-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