General Information of the Compound
| Compound ID |
CP0540817
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| Compound Name |
[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(5-ethynyl-1-methylpyrrolo[2,3-c]pyridin-2-yl)methanone
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(ncc2n1C)C#C
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| InChI |
InChI=1S/C23H24N4O/c1-5-20-11-19-12-21(26(4)22(19)13-24-20)23(28)27-9-8-17-10-16(14-25(2)3)6-7-18(17)15-27/h1,6-7,10-13H,8-9,14-15H2,2-4H3
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| InChIKey |
CEZZNFSQMLQKBB-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