General Information of the Compound
| Compound ID |
CP0940052
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| Compound Name |
2-(4-(2-(3,4-Dimethoxyphenyl)-3-isobutyl-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 |
CCC(C)c1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C3CCN(CCNC)CC3)cc12
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| InChI |
InChI=1S/C28H39N3O2/c1-6-19(2)27-23-17-21(20-11-14-31(15-12-20)16-13-29-3)7-9-24(23)30-28(27)22-8-10-25(32-4)26(18-22)33-5/h7-10,17-20,29-30H,6,11-16H2,1-5H3
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| InChIKey |
QSNNJQWJYKWBFO-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