General Information of the Compound
| Compound ID |
CP0575755
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| Compound Name |
[6-(2,6-dimethylpyridin-4-yl)-5-methoxy-1H-indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
COc1cc2c(n[nH]c2cc1-c1cc(C)nc(C)c1)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H25N5O2/c1-13-9-15(10-14(2)22-13)16-11-18-17(12-19(16)28-4)20(24-23-18)21(27)26-7-5-25(3)6-8-26/h9-12H,5-8H2,1-4H3,(H,23,24)
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| InChIKey |
DQHZVYXUICCCKG-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