General Information of the Compound
| Compound ID |
CP0501822
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| Compound Name |
(9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
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| Synonyms |
BDBM22991
CHEMBL236385
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]linoleamide
N-arachidonoylserotonin analogue, 1d
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| Structure |
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| Formula |
C28H42N2O2
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| Molecular Weight |
438.656
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| Canonical SMILES |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
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| InChI |
InChI=1S/C28H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h6-7,9-10,18-19,22-23,30-31H,2-5,8,11-17,20-21H2,1H3,(H,29,32)/b7-6-,10-9-
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| InChIKey |
YJVMJUDLMFBYFZ-HZJYTTRNSA-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
Clinical Information about the Compound