General Information of the Compound
| Compound ID |
CP0485964
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| Compound Name |
N-[7-azabicyclo[2.2.1]heptan-1-yl(pyridin-4-yl)methyl]-2,6-dimethylbenzamide
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)NC(c1ccncc1)C12CCC(CC1)N2
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| InChI |
InChI=1S/C21H25N3O/c1-14-4-3-5-15(2)18(14)20(25)23-19(16-8-12-22-13-9-16)21-10-6-17(24-21)7-11-21/h3-5,8-9,12-13,17,19,24H,6-7,10-11H2,1-2H3,(H,23,25)
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| InChIKey |
JMDLHIYLVZZIMY-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