General Information of the Compound
| Compound ID |
CP0554970
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| Compound Name |
[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(1-methylpyrrolo[2,3-c]pyridin-2-yl)methanone
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| Structure |
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| Formula |
C21H24N4O
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| Molecular Weight |
348.45
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| Canonical SMILES |
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2ccncc2n1C
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| InChI |
InChI=1S/C21H24N4O/c1-23(2)13-15-4-5-18-14-25(9-7-16(18)10-15)21(26)19-11-17-6-8-22-12-20(17)24(19)3/h4-6,8,10-12H,7,9,13-14H2,1-3H3
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| InChIKey |
VEHHSNLPCDSQJA-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