General Information of the Compound
| Compound ID |
CP0909895
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| Compound Name |
3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-2-(3,3,3-trifluoropropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H21F8N5O3
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| Molecular Weight |
591.459
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| Canonical SMILES |
N#Cc1ccc2nc(NCCC(F)(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H20F5N5O.C2HF3O2/c24-15-2-4-20(17(25)12-15)34-16-5-9-33(10-6-16)22-21(30-8-7-23(26,27)28)31-18-3-1-14(13-29)11-19(18)32-22;3-2(4,5)1(6)7/h1-4,11-12,16H,5-10H2,(H,30,31);(H,6,7)
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| InChIKey |
ROURCNIWZZFEKJ-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