General Information of the Compound
| Compound ID |
CP0490958
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| Compound Name |
(4Z,7S,8E,10Z,12E,14E,16R,17S)-7,16,17-trihydroxydocosa-4,8,10,12,14-pentaenoic acid
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| Formula |
C22H34O5
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| Molecular Weight |
378.509
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| Canonical SMILES |
CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)C\C=C/CCC(O)=O
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| InChI |
InChI=1S/C22H34O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h4-8,10-12,14,17,19-21,23-25H,2-3,9,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1
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| InChIKey |
NHEQLDHOIDACCJ-YPOUZGMCSA-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