General Information of the Compound
| Compound ID |
CP0388202
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| Compound Name |
(1R,4aR,10R,10aR)-8-(2-fluoropyridin-3-yl)-1-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[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@H]1OCC[C@H]2Oc3ccc(cc3[C@@]3(COC(N)=N3)[C@H]12)-c1cccnc1F
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| InChI |
InChI=1S/C20H20FN3O3/c1-11-17-16(6-8-25-11)27-15-5-4-12(13-3-2-7-23-18(13)21)9-14(15)20(17)10-26-19(22)24-20/h2-5,7,9,11,16-17H,6,8,10H2,1H3,(H2,22,24)/t11-,16-,17-,20+/m1/s1
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| InChIKey |
ZYBCWTRDTPBTDB-ZMTUXBBYSA-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