General Information of the Compound
| Compound ID |
CP0952131
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| Compound Name |
3-(4-(2,4-difluorophenoxy)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 |
C22H23F5N6O3
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| Molecular Weight |
514.455
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| Canonical SMILES |
CC(C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(F)cc2F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H22F2N6O.C2HF3O2/c1-12(2)25-19-20(27-17-11-24-23-10-16(17)26-19)28-7-5-14(6-8-28)29-18-4-3-13(21)9-15(18)22;3-2(4,5)1(6)7/h3-4,9-12,14H,5-8H2,1-2H3,(H,25,26);(H,6,7)
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| InChIKey |
IYRLGTZUJTZUND-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