General Information of the Compound
| Compound ID |
CP0410426
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| Compound Name |
N-ethyl-N-(2-hydroxyethyl)-7-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-b]pyridazine-6-carboxamide
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| Structure |
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| Formula |
C19H18F3N3O2
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| Molecular Weight |
377.366
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| Canonical SMILES |
CCN(CCO)C(=O)c1cc2cccnn2c1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H18F3N3O2/c1-2-24(10-11-26)18(27)16-12-15-4-3-9-23-25(15)17(16)13-5-7-14(8-6-13)19(20,21)22/h3-9,12,26H,2,10-11H2,1H3
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| InChIKey |
KWDPKDVJPUZDNU-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