General Information of the Compound
| Compound ID |
CP0416207
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| Compound Name |
(5-bromo-1-methylpyrrolo[2,3-c]pyridin-2-yl)-[6-[(dimethylamino)methyl]-4-methyl-1,3-dihydroisoquinolin-8a-ylium-2-yl]methanone
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| Structure |
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| Formula |
C22H24BrN4O+
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| Molecular Weight |
440.365
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| Canonical SMILES |
C[C+]1CN(Cc2ccc(CN(C)C)cc12)C(=O)c1cc2cc(Br)ncc2n1C
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| InChI |
InChI=1S/C22H24BrN4O/c1-14-11-27(13-16-6-5-15(7-18(14)16)12-25(2)3)22(28)19-8-17-9-21(23)24-10-20(17)26(19)4/h5-10H,11-13H2,1-4H3/q+1
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| InChIKey |
VUJUYQRATLTOLG-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