General Information of the Compound
| Compound ID |
CP0569972
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| Compound Name |
tert-butyl 4-[2-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C30H41N5O4
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| Molecular Weight |
535.689
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| Canonical SMILES |
COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C(=O)OC(C)(C)C)c(OCCCN2CCCC2)c1
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| InChI |
InChI=1S/C30H41N5O4/c1-30(2,3)39-29(36)34-17-15-33(16-18-34)23-10-14-35-22-26(31-28(35)20-23)25-9-8-24(37-4)21-27(25)38-19-7-13-32-11-5-6-12-32/h8-10,14,20-22H,5-7,11-13,15-19H2,1-4H3
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| InChIKey |
YEAISOQWERLVTR-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