General Information of the Compound
| Compound ID |
CP0476249
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| Compound Name |
1-[4-[3-(naphthalen-1-yldiazenyl)phenyl]but-3-ynyl]piperidine-3-carboxylic acid
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| Formula |
C26H25N3O2
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| Molecular Weight |
411.505
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| Canonical SMILES |
OC(=O)C1CCCN(CCC#Cc2cccc(c2)\N=N\c2cccc3ccccc23)C1
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| InChI |
InChI=1S/C26H25N3O2/c30-26(31)22-12-7-17-29(19-22)16-4-3-8-20-9-5-13-23(18-20)27-28-25-15-6-11-21-10-1-2-14-24(21)25/h1-2,5-6,9-11,13-15,18,22H,4,7,12,16-17,19H2,(H,30,31)/b28-27+
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| InChIKey |
KAZIDTOHSJUEBD-BYYHNAKLSA-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