General Information of the Compound
| Compound ID |
CP0575651
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| Compound Name |
4-[3-[2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenoxy]propyl]morpholine
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| Structure |
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| Formula |
C30H41N5O3
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| Molecular Weight |
519.69
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| Canonical SMILES |
COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C2CCCC2)c(OCCCN2CCOCC2)c1
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| InChI |
InChI=1S/C30H41N5O3/c1-36-26-7-8-27(29(22-26)38-18-4-10-32-16-19-37-20-17-32)28-23-35-11-9-25(21-30(35)31-28)34-14-12-33(13-15-34)24-5-2-3-6-24/h7-9,11,21-24H,2-6,10,12-20H2,1H3
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| InChIKey |
DODJFSFVLOSCBU-UHFFFAOYSA-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: PT01922, Toll-like receptor 9