General Information of the Compound
| Compound ID |
CP0487970
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| Compound Name |
N-ethyl-N-(2-hydroxyethyl)-3-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)c1cc2cc(C)cnn2c1-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N3O2/c1-3-25(7-8-27)19(28)17-11-16-9-13(2)12-24-26(16)18(17)14-5-4-6-15(10-14)20(21,22)23/h4-6,9-12,27H,3,7-8H2,1-2H3
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| InChIKey |
BPAUZFYIHBUEAR-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