General Information of the Compound
| Compound ID |
CP0497845
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| Compound Name |
N-ethyl-N-(2-hydroxyethyl)-7-[[3-(trifluoromethyl)phenyl]methyl]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)c1cc2cccnn2c1Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N3O2/c1-2-25(9-10-27)19(28)17-13-16-7-4-8-24-26(16)18(17)12-14-5-3-6-15(11-14)20(21,22)23/h3-8,11,13,27H,2,9-10,12H2,1H3
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| InChIKey |
UVOYWFRWZSDKNQ-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