General Information of the Compound
| Compound ID |
CP0947228
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| Compound Name |
3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-2-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carbaldehyde trifluoroacetic acid
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| Structure |
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| Formula |
C24H28F5N5O4
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| Molecular Weight |
545.509
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(C=O)CC2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H27F2N5O2.C2HF3O2/c1-14(2)25-21-22(27-19-12-28(13-30)8-7-18(19)26-21)29-9-5-16(6-10-29)31-20-4-3-15(23)11-17(20)24;3-2(4,5)1(6)7/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H,25,26);(H,6,7)
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| InChIKey |
NATOYIPOZACGDZ-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