General Information of the Compound
| Compound ID |
CP0567938
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| Compound Name |
cyclopentyl-[4-[2-(2,4-dimethoxyphenyl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C30H39N5O3
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| Molecular Weight |
517.674
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| Canonical SMILES |
COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C(=O)C2CCCC2)c(OC)c1
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| InChI |
InChI=1S/C30H39N5O3/c1-37-24-9-10-25(27(20-24)38-2)29-26(21-32-12-5-6-13-32)35-14-11-23(19-28(35)31-29)33-15-17-34(18-16-33)30(36)22-7-3-4-8-22/h9-11,14,19-20,22H,3-8,12-13,15-18,21H2,1-2H3
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| InChIKey |
OEASEXLHFVEZPV-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