General Information of the Compound
| Compound ID |
CP0424067
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| Compound Name |
8-[2-[(3S,4S)-3-fluoropiperidin-4-yl]-7-(trifluoromethyl)indazol-5-yl]-2,3-dihydro-1H-indolizin-5-one
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| Structure |
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| Formula |
C21H20F4N4O
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| Molecular Weight |
420.41
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| Canonical SMILES |
F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
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| InChI |
InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
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| InChIKey |
WLDNDKUPNXWOSV-WMZOPIPTSA-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: PT01760, Interleukin-1 receptor type 1
Protein ID: PT06366, Toll-like receptor 1
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT03343, Toll-like receptor 4
Protein ID: PT06115, Toll-like receptor 5
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9