General Information of the Compound
| Compound ID |
CP0540898
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| Compound Name |
(2S)-3-(6-aminopyridin-3-yl)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C27H28FN3O3
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| Molecular Weight |
461.537
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(N)nc1
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| InChI |
InChI=1S/C27H28FN3O3/c1-17-23-12-21(32)5-8-24(23)34-27(26(17)20-4-9-25(29)30-14-20)19-2-6-22(7-3-19)33-11-10-31-15-18(13-28)16-31/h2-9,12,14,18,27,32H,10-11,13,15-16H2,1H3,(H2,29,30)/t27-/m0/s1
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| InChIKey |
FUJNTCYGEBHXHX-MHZLTWQESA-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