General Information of the Compound
| Compound ID |
CP0938738
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| Compound Name |
3-(4-(2-fluoro-4-(fluoromethoxy)phenoxy)piperidin-1-yl)-N-isopropylpyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H25F5N6O4
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| Molecular Weight |
544.481
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| Canonical SMILES |
CC(C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(OCF)cc2F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H24F2N6O2.C2HF3O2/c1-13(2)26-20-21(28-18-11-25-24-10-17(18)27-20)29-7-5-14(6-8-29)31-19-4-3-15(30-12-22)9-16(19)23;3-2(4,5)1(6)7/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,26,27);(H,6,7)
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| InChIKey |
KHWZOXVEZHCWQG-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