General Information of the Compound
| Compound ID |
CP0199177
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| Compound Name |
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-oxo-1H-isoindole-4-carboxamide
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
NC(=O)c1cccc2CN(CCN3CCc4ccccc4C3)C(=O)c12
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| InChI |
InChI=1S/C20H21N3O2/c21-19(24)17-7-3-6-16-13-23(20(25)18(16)17)11-10-22-9-8-14-4-1-2-5-15(14)12-22/h1-7H,8-13H2,(H2,21,24)
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| InChIKey |
UREAUZAZNZXBOS-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