General Information of the Compound
| Compound ID |
CP0969376
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| Compound Name |
1-(3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-2-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxyethan-1-one trifluoroacetic acid
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| Structure |
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| Formula |
C26H32F5N5O5
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| Molecular Weight |
589.562
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| Canonical SMILES |
COCC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H31F2N5O3.C2HF3O2/c1-15(2)27-23-24(29-20-13-31(22(32)14-33-3)11-8-19(20)28-23)30-9-6-17(7-10-30)34-21-5-4-16(25)12-18(21)26;3-2(4,5)1(6)7/h4-5,12,15,17H,6-11,13-14H2,1-3H3,(H,27,28);(H,6,7)
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| InChIKey |
CYPLEKOSJAYWKE-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