General Information of the Compound
| Compound ID |
CP0575862
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| Compound Name |
5-[(2S,6R)-2-[[6-(3-aminoazetidin-1-yl)spiro[1H-2-benzofuran-3,3'-azetidine]-1'-yl]methyl]-6-methylmorpholin-4-yl]-2-deuterioquinoline-8-carbonitrile
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| Structure |
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| Formula |
C29H32N6O2
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| Molecular Weight |
497.6211018
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| Canonical SMILES |
[2H]c1ccc2c(ccc(C#N)c2n1)N1C[C@@H](C)O[C@@H](CN2CC3(C2)OCc2cc(ccc32)N2CC(N)C2)C1
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| InChI |
InChI=1S/C29H32N6O2/c1-19-11-35(27-7-4-20(10-30)28-25(27)3-2-8-32-28)15-24(37-19)14-33-17-29(18-33)26-6-5-23(9-21(26)16-36-29)34-12-22(31)13-34/h2-9,19,22,24H,11-18,31H2,1H3/t19-,24+/m1/s1/i8D
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| InChIKey |
WEEBCOREBZDJSB-WGNJMZQMSA-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9