General Information of the Compound
| Compound ID |
CP0715131
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| Compound Name |
[2H]-2-(4-(5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinolin-3-yl)piperazin-1-yl)ethanol
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| Structure |
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| Formula |
C23H24F3N5O3
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| Molecular Weight |
477.4832036
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| Canonical SMILES |
[2H]C([2H])(O)CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1
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| InChI |
InChI=1S/C23H24F3N5O3/c24-23(25,26)17-11-21(27-14-16-2-1-3-18(10-16)31(33)34)20-13-19(15-28-22(20)12-17)30-6-4-29(5-7-30)8-9-32/h1-3,10-13,15,27,32H,4-9,14H2/i9D2
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| InChIKey |
IEQYRWPMNVPDLX-KNXIQCGSSA-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