General Information of the Compound
| Compound ID |
CP0546171
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| Compound Name |
3-(difluoromethyl)-4-fluoro-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
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| Formula |
C23H21F3N6O3
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| Molecular Weight |
486.454
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| Canonical SMILES |
CNC(=O)c1cc(C(F)F)c(F)c(c1)-c1cnc2cc(-c3cnn(C)c3)c(O[C@H]3CCOC3)nn12
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| InChI |
InChI=1S/C23H21F3N6O3/c1-27-22(33)12-5-16(20(24)17(6-12)21(25)26)18-9-28-19-7-15(13-8-29-31(2)10-13)23(30-32(18)19)35-14-3-4-34-11-14/h5-10,14,21H,3-4,11H2,1-2H3,(H,27,33)/t14-/m0/s1
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| InChIKey |
VSDZEHDPNRWKLG-AWEZNQCLSA-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