General Information of the Compound
| Compound ID |
CP0871857
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| Compound Name |
1-(3-((2,2-difluoroethyl)amino)-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethan-1-one trifluoroacetic acid
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| Structure |
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| Formula |
C24H26F7N5O4
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| Molecular Weight |
581.489
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| Canonical SMILES |
CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H25F4N5O2.C2HF3O2/c1-13(32)31-9-6-17-18(12-31)28-21(27-11-20(25)26)22(29-17)30-7-4-15(5-8-30)33-19-3-2-14(23)10-16(19)24;3-2(4,5)1(6)7/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,27,28);(H,6,7)
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| InChIKey |
HNCMBXTYRFKAAS-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