General Information of the Compound
| Compound ID |
CP0280059
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| Compound Name |
(4S)-1'-fluoro-7'-(2-fluoropyridin-3-yl)-3'-(2-fluoropyridin-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
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| Structure |
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| Formula |
C24H14F3N5O2
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| Molecular Weight |
461.403
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| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F
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| InChI |
InChI=1S/C24H14F3N5O2/c25-19-9-13(5-7-29-19)17-10-16-20(22(27)31-17)34-18-4-3-12(14-2-1-6-30-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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| InChIKey |
PJZKRIUYQAGJRH-DEOSSOPVSA-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