General Information of the Compound
| Compound ID |
CP0867705
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| Compound Name |
3-(4-(2-fluoro-4-methoxyphenoxy)pipelidin-1-yl)-N-isopropylpyrazino[2,3-djpyridazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H26F4N6O4
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| Molecular Weight |
526.491
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| Canonical SMILES |
COc1ccc(OC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H25FN6O2.C2HF3O2/c1-13(2)25-20-21(27-18-12-24-23-11-17(18)26-20)28-8-6-14(7-9-28)30-19-5-4-15(29-3)10-16(19)22;3-2(4,5)1(6)7/h4-5,10-14H,6-9H2,1-3H3,(H,25,26);(H,6,7)
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| InChIKey |
SWSCLQSICIWPPG-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