General Information of the Compound
| Compound ID |
CP0566885
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| Compound Name |
[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-[1-methyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-2-yl]methanone
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| Structure |
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| Formula |
C22H23F3N4O
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| Molecular Weight |
416.447
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| Canonical SMILES |
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(ncc2n1C)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N4O/c1-27(2)12-14-4-5-16-13-29(7-6-15(16)8-14)21(30)18-9-17-10-20(22(23,24)25)26-11-19(17)28(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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| InChIKey |
VGJDJTDQWBICRY-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