General Information of the Compound
| Compound ID |
CP0941723
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| Compound Name |
2-(4-aminobenzyl)-6-hydroxytetralone
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| Structure |
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| Formula |
C17H17NO2
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| Molecular Weight |
267.328
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| Canonical SMILES |
Nc1ccc(CC2CCc3cc(O)ccc3C2=O)cc1
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| InChI |
InChI=1S/C17H17NO2/c18-14-5-1-11(2-6-14)9-13-4-3-12-10-15(19)7-8-16(12)17(13)20/h1-2,5-8,10,13,19H,3-4,9,18H2
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| InChIKey |
CDQDFCLUTLXRJB-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