General Information of the Compound
| Compound ID |
CP0476251
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| Compound Name |
1-[5-[4-(naphthalen-1-yldiazenyl)phenyl]pent-4-ynyl]piperidine-3-carboxylic acid
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
OC(=O)C1CCCN(CCCC#Cc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
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| InChI |
InChI=1S/C27H27N3O2/c31-27(32)23-11-7-19-30(20-23)18-5-1-2-8-21-14-16-24(17-15-21)28-29-26-13-6-10-22-9-3-4-12-25(22)26/h3-4,6,9-10,12-17,23H,1,5,7,11,18-20H2,(H,31,32)/b29-28+
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| InChIKey |
YMLUVSXREHZYSQ-ZQHSETAFSA-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