General Information of the Compound
| Compound ID |
CP0880923
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| Compound Name |
3-(4-(2,4-difluorobenzyl)piperidin-1-yl)-2-(2,2-difluoroethylamino)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C23H21F4N5
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| Molecular Weight |
443.448
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| Canonical SMILES |
N#Cc1ccc2nc(NCC(F)F)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2c1
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| InChI |
InChI=1S/C23H21F4N5/c24-17-3-2-16(18(25)11-17)9-14-5-7-32(8-6-14)23-22(29-13-21(26)27)30-19-4-1-15(12-28)10-20(19)31-23/h1-4,10-11,14,21H,5-9,13H2,(H,29,30)
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| InChIKey |
RWSHRZAJYMIUKD-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