General Information of the Compound
| Compound ID |
CP0398821
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| Compound Name |
(3R)-1-[2-[2-[4-(naphthalen-1-yldiazenyl)phenyl]ethoxy]ethyl]piperidine-3-carboxylic acid
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N/c2cccc3ccccc23)C1
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| InChI |
InChI=1S/C26H29N3O3/c30-26(31)22-7-4-15-29(19-22)16-18-32-17-14-20-10-12-23(13-11-20)27-28-25-9-3-6-21-5-1-2-8-24(21)25/h1-3,5-6,8-13,22H,4,7,14-19H2,(H,30,31)/b28-27-/t22-/m1/s1
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| InChIKey |
WCBYBFHLMDMYRW-MWHYSOGASA-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