General Information of the Compound
| Compound ID |
CP0377616
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| Compound Name |
N-ethyl-N-(2-hydroxyethyl)-4-methyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-b]pyridazine-6-carboxamide
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| Structure |
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| Formula |
C20H20F3N3O2
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| Molecular Weight |
391.393
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| Canonical SMILES |
CCN(CCO)C(=O)c1cc2c(C)ccnn2c1-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N3O2/c1-3-25(9-10-27)19(28)16-12-17-13(2)7-8-24-26(17)18(16)14-5-4-6-15(11-14)20(21,22)23/h4-8,11-12,27H,3,9-10H2,1-2H3
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| InChIKey |
KKFQSUREMXRUKG-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