General Information of the Compound
| Compound ID |
CP0874139
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| Compound Name |
3-(4-(2,4-difluorobenzyl)piperazin-1-yl)-2-((3,3,3-trifluoropropyl)amino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H22F8N6O2
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| Molecular Weight |
590.475
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| Canonical SMILES |
N#Cc1ccc2nc(NCCC(F)(F)F)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H21F5N6.C2HF3O2/c24-17-3-2-16(18(25)12-17)14-33-7-9-34(10-8-33)22-21(30-6-5-23(26,27)28)31-19-4-1-15(13-29)11-20(19)32-22;3-2(4,5)1(6)7/h1-4,11-12H,5-10,14H2,(H,30,31);(H,6,7)
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| InChIKey |
NOGROXYZJSZUDN-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