General Information of the Compound
| Compound ID |
CP0557769
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| Compound Name |
[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(1-methyl-5-phenylpyrrolo[2,3-c]pyridin-2-yl)methanone
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| Structure |
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| Formula |
C27H28N4O
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| Molecular Weight |
424.548
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| Canonical SMILES |
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(ncc2n1C)-c1ccccc1
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| InChI |
InChI=1S/C27H28N4O/c1-29(2)17-19-9-10-22-18-31(12-11-21(22)13-19)27(32)25-15-23-14-24(20-7-5-4-6-8-20)28-16-26(23)30(25)3/h4-10,13-16H,11-12,17-18H2,1-3H3
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| InChIKey |
AOOWUKRCTFDBNJ-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