General Information of the Compound
| Compound ID |
CP0963761
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| Compound Name |
3-(4-(2,4-difluorobenzyl)piperidin-1-yl)-2-(pyridin-3-ylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C28H23F5N6O2
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| Molecular Weight |
570.522
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| Canonical SMILES |
N#Cc1ccc2nc(Nc3cccnc3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H22F2N6.C2HF3O2/c27-20-5-4-19(22(28)14-20)12-17-7-10-34(11-8-17)26-25(31-21-2-1-9-30-16-21)32-23-6-3-18(15-29)13-24(23)33-26;3-2(4,5)1(6)7/h1-6,9,13-14,16-17H,7-8,10-12H2,(H,31,32);(H,6,7)
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| InChIKey |
OIZDDJAQNTUORC-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