General Information of the Compound
| Compound ID |
CP0579493
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| Compound Name |
3-[2-[6-[(3S)-3-aminopiperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzamide
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| Structure |
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| Formula |
C28H24ClF3N6O
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| Molecular Weight |
552.988
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| Canonical SMILES |
Cc1c(cccc1C(=O)Nc1cc(Cl)cc(c1)C(F)(F)F)C#Cc1cnc2ccc(nn12)N1CCC[C@H](N)C1
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| InChI |
InChI=1S/C28H24ClF3N6O/c1-17-18(4-2-6-24(17)27(39)35-22-13-19(28(30,31)32)12-20(29)14-22)7-8-23-15-34-25-9-10-26(36-38(23)25)37-11-3-5-21(33)16-37/h2,4,6,9-10,12-15,21H,3,5,11,16,33H2,1H3,(H,35,39)/t21-/m0/s1
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| InChIKey |
AADXSEVDTNPICQ-NRFANRHFSA-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