General Information of the Compound
| Compound ID |
CP0381197
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| Compound Name |
(3S,4E,14S,17E,21Z,27Z,42E,44R)-hexatetraconta-4,17,21,27,42-pentaen-1,12,15,45-tetrayne-3,14,44-triol
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| Structure |
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| Formula |
C46H68O3
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| Molecular Weight |
669.047
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| Canonical SMILES |
O[C@H](\C=C\CCCCCCCCCCCCC\C=C/CCCC\C=C/CC\C=C\C#C[C@@H](O)C#CCCCCCC\C=C\[C@H](O)C#C)C#C
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| InChI |
InChI=1S/C46H68O3/c1-3-44(47)40-36-32-28-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-30-34-38-42-46(49)43-39-35-31-27-26-29-33-37-41-45(48)4-2/h1-2,7,9,19,21,30,34,36-37,40-41,44-49H,5-6,8,10-18,20,22-29,31-33,35H2/b9-7-,21-19-,34-30+,40-36+,41-37+/t44-,45+,46+/m0/s1
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| InChIKey |
TVJMVJZXKBSCJA-RPTVNZPSSA-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