General Information of the Compound
| Compound ID |
CP0567442
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| Compound Name |
5-[(2S,6R)-2-[[6-(3-amino-3-methylazetidin-1-yl)spiro[1H-furo[3,4-c]pyridine-3,3'-azetidine]-1'-yl]methyl]-6-methylmorpholin-4-yl]-2-deuterioquinoline-8-carbonitrile
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| Structure |
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| Formula |
C29H33N7O2
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| Molecular Weight |
512.6361018
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| Canonical SMILES |
[2H]c1ccc2c(ccc(C#N)c2n1)N1C[C@@H](C)O[C@@H](CN2CC3(C2)OCc2cc(ncc32)N2CC(C)(N)C2)C1
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| InChI |
InChI=1S/C29H33N7O2/c1-19-11-35(25-6-5-20(9-30)27-23(25)4-3-7-32-27)13-22(38-19)12-34-17-29(18-34)24-10-33-26(8-21(24)14-37-29)36-15-28(2,31)16-36/h3-8,10,19,22H,11-18,31H2,1-2H3/t19-,22+/m1/s1/i7D
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| InChIKey |
NRLQMZILGUDIAP-KRJDLQJASA-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