General Information of the Compound
| Compound ID |
CP0513091
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| Compound Name |
1-[2-[2-(4-phenyldiazenylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid
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| Formula |
C22H27N3O3
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| Molecular Weight |
381.476
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| Canonical SMILES |
OC(=O)C1CCCN(CCOCCc2ccc(cc2)\N=N/c2ccccc2)C1
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| InChI |
InChI=1S/C22H27N3O3/c26-22(27)19-5-4-13-25(17-19)14-16-28-15-12-18-8-10-21(11-9-18)24-23-20-6-2-1-3-7-20/h1-3,6-11,19H,4-5,12-17H2,(H,26,27)/b24-23-
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| InChIKey |
IDGYVVQDLWAJKN-VHXPQNKSSA-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