General Information of the Compound
| Compound ID |
CP0931308
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| Compound Name |
N-cyclopropyl-3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-5-morpholinopyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C28H32F4N6O5
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| Molecular Weight |
608.593
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| Canonical SMILES |
COc1ccc(OC2CCN(c3nc4c(N5CCOCC5)nccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H31FN6O3.C2HF3O2/c1-34-19-4-5-22(20(27)16-19)36-18-7-10-32(11-8-18)26-24(29-17-2-3-17)30-21-6-9-28-25(23(21)31-26)33-12-14-35-15-13-33;3-2(4,5)1(6)7/h4-6,9,16-18H,2-3,7-8,10-15H2,1H3,(H,29,30);(H,6,7)
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| InChIKey |
GRVBQBAUFIIKKU-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