General Information of the Compound
| Compound ID |
CP0961798
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| Compound Name |
3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-2-(isopropylamino)-N-(2-methoxyethyl)-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide trifluoroacetic acid
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| Structure |
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| Formula |
C27H35F5N6O5
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| Molecular Weight |
618.604
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| Canonical SMILES |
COCCNC(=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/C25H34F2N6O3.C2HF3O2/c1-16(2)29-23-24(31-21-15-33(12-8-20(21)30-23)25(34)28-9-13-35-3)32-10-6-18(7-11-32)36-22-5-4-17(26)14-19(22)27;3-2(4,5)1(6)7/h4-5,14,16,18H,6-13,15H2,1-3H3,(H,28,34)(H,29,30);(H,6,7)
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| InChIKey |
YBIXAGDJUYUERR-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