General Information of the Compound
| Compound ID |
CP0105540
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| Compound Name |
(4S)-7'-(2-fluoropyridin-3-yl)-3'-(4-methylphenyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
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| Structure |
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| Formula |
C26H19FN4O2
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| Molecular Weight |
438.462
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| Canonical SMILES |
Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F
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| InChI |
InChI=1S/C26H19FN4O2/c1-15-4-6-16(7-5-15)18-12-21-24(30-13-18)33-22-9-8-17(19-3-2-10-29-23(19)27)11-20(22)26(21)14-32-25(28)31-26/h2-13H,14H2,1H3,(H2,28,31)/t26-/m0/s1
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| InChIKey |
XDXKCXYAVKKRNF-SANMLTNESA-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