General Information of the Compound
| Compound ID |
CP0575548
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| Compound Name |
4-[(2R,6S)-2-methyl-6-[[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)spiro[1H-2-benzofuran-3,3'-azetidine]-1'-yl]methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
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| Structure |
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| Formula |
C30H35N7O2
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| Molecular Weight |
525.657
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| Canonical SMILES |
C[C@@H]1CN(C[C@H](CN2CC3(C2)OCc2cc(ccc32)N2CC3(CN(C)C3)C2)O1)c1ccc(C#N)n2nccc12
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| InChI |
InChI=1S/C30H35N7O2/c1-21-11-35(27-6-4-24(10-31)37-28(27)7-8-32-37)13-25(39-21)12-34-19-30(20-34)26-5-3-23(9-22(26)14-38-30)36-17-29(18-36)15-33(2)16-29/h3-9,21,25H,11-20H2,1-2H3/t21-,25+/m1/s1
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| InChIKey |
QOLBPJHTZXJFLH-BWKNWUBXSA-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