General Information of the Compound
| Compound ID |
CP0421623
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| Compound Name |
4-[(4-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C20H20BrN3O2
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| Molecular Weight |
414.303
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| Canonical SMILES |
Brc1ccc(Cc2cc(nn3cccc23)C(=O)NCC2CCCO2)cc1
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| InChI |
InChI=1S/C20H20BrN3O2/c21-16-7-5-14(6-8-16)11-15-12-18(23-24-9-1-4-19(15)24)20(25)22-13-17-3-2-10-26-17/h1,4-9,12,17H,2-3,10-11,13H2,(H,22,25)
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| InChIKey |
CODDGZLPEQSMHJ-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