General Information of the Compound
| Compound ID |
CP0528719
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| Compound Name |
[6-(3-fluoro-2-methylpyridin-4-yl)-5-methoxy-1H-indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H22FN5O2
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| Molecular Weight |
383.427
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| Canonical SMILES |
COc1cc2c(n[nH]c2cc1-c1ccnc(C)c1F)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C20H22FN5O2/c1-12-18(21)13(4-5-22-12)14-10-16-15(11-17(14)28-3)19(24-23-16)20(27)26-8-6-25(2)7-9-26/h4-5,10-11H,6-9H2,1-3H3,(H,23,24)
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| InChIKey |
OLNAPNPRDCFCSN-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