General Information of the Compound
| Compound ID |
CP0903311
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| Compound Name |
N-ethyl-3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)pyrido[3,4-b]pyrazin-3-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H25F4N5O4
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| Molecular Weight |
511.476
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| Canonical SMILES |
CCNc1nc2cnccc2nc1N1CCC(Oc2ccc(OC)cc2F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H24FN5O2.C2HF3O2/c1-3-24-20-21(26-17-6-9-23-13-18(17)25-20)27-10-7-14(8-11-27)29-19-5-4-15(28-2)12-16(19)22;3-2(4,5)1(6)7/h4-6,9,12-14H,3,7-8,10-11H2,1-2H3,(H,24,25);(H,6,7)
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| InChIKey |
LTJOEGMEOBYYKZ-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