General Information of the Compound
| Compound ID |
CP0548364
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| Compound Name |
1-[4-[7-(2,6-dimethylpyridin-4-yl)-5-methyl-9H-carbazol-3-yl]piperidin-1-yl]-2-methylpropan-2-ol
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| Structure |
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| Formula |
C29H35N3O
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| Molecular Weight |
441.619
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| Canonical SMILES |
Cc1cc(cc(C)n1)-c1cc(C)c2c(c1)[nH]c1ccc(cc21)C1CCN(CC(C)(C)O)CC1
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| InChI |
InChI=1S/C29H35N3O/c1-18-12-23(24-13-19(2)30-20(3)14-24)16-27-28(18)25-15-22(6-7-26(25)31-27)21-8-10-32(11-9-21)17-29(4,5)33/h6-7,12-16,21,31,33H,8-11,17H2,1-5H3
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| InChIKey |
YLNCBZVZEPUMGA-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: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9