General Information of the Compound
| Compound ID |
CP0510709
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| Compound Name |
1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-amine
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H21N3O3/c22-19(7-4-16-10-12-23-13-11-16)15-27-21-8-5-17(6-9-21)18-2-1-3-20(14-18)24(25)26/h1-3,5-6,8-14,19H,4,7,15,22H2
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| InChIKey |
JSSHYLDCNVIQTK-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