General Information of the Compound
| Compound ID |
CP0479713
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| Compound Name |
2-[4-[2-(3-ethoxy-4-propan-2-yloxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C28H39N3O2
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| Molecular Weight |
449.639
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| Canonical SMILES |
CCOc1cc(ccc1OC(C)C)-c1[nH]c2ccc(cc2c1C)C1CCN(CCNC)CC1
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| InChI |
InChI=1S/C28H39N3O2/c1-6-32-27-18-23(8-10-26(27)33-19(2)3)28-20(4)24-17-22(7-9-25(24)30-28)21-11-14-31(15-12-21)16-13-29-5/h7-10,17-19,21,29-30H,6,11-16H2,1-5H3
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| InChIKey |
AVCGDYQPXNJEJC-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