General Information of the Compound
| Compound ID |
CP0878893
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| Compound Name |
(S)-3-(4-((2,5-difluorophenyl)fluoromethyl)piperidin-1-yl)-2-(isopropylamino)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C24H24F3N5
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| Molecular Weight |
439.485
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| Canonical SMILES |
CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCC([C@H](F)c2cc(F)ccc2F)CC1
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| InChI |
InChI=1S/C24H24F3N5/c1-14(2)29-23-24(31-21-11-15(13-28)3-6-20(21)30-23)32-9-7-16(8-10-32)22(27)18-12-17(25)4-5-19(18)26/h3-6,11-12,14,16,22H,7-10H2,1-2H3,(H,29,30)/t22-/m0/s1
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| InChIKey |
DBUVTRNEQLNDKV-QFIPXVFZSA-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