General Information of the Compound
| Compound ID |
CP0506388
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| Compound Name |
16-Cyclopentyl-15-hydroxy-hexadec-13-en-11-ynoic acid
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| Structure |
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| Formula |
C21H34O3
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| Molecular Weight |
334.5
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| Canonical SMILES |
OC(CC1CCCC1)\C=C\C#CCCCCCCCCCC(O)=O
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| InChI |
InChI=1S/C21H34O3/c22-20(18-19-14-12-13-15-19)16-10-8-6-4-2-1-3-5-7-9-11-17-21(23)24/h10,16,19-20,22H,1-5,7,9,11-15,17-18H2,(H,23,24)/b16-10+
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| InChIKey |
GMLDARVLTCJJHB-MHWRWJLKSA-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