General Information of the Compound
| Compound ID |
CP0963445
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| Compound Name |
3-(4-((R)-(2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-N-(2-methylcyclopropyl)pyridazino[4,5-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C24H24F6N6O2
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| Molecular Weight |
542.484
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| Canonical SMILES |
CC1CC1Nc1nc2cnncc2nc1N1CCC([C@@H](F)c2ccc(F)cc2F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N6.C2HF3O2/c1-12-8-17(12)28-21-22(30-19-11-27-26-10-18(19)29-21)31-6-4-13(5-7-31)20(25)15-3-2-14(23)9-16(15)24;3-2(4,5)1(6)7/h2-3,9-13,17,20H,4-8H2,1H3,(H,28,29);(H,6,7)/t12?,17?,20-;/m1./s1
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| InChIKey |
OLVMOTHGDVQQFX-JDDDGEBHSA-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