General Information of the Compound
| Compound ID |
CP0430720
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| Compound Name |
(5S,9E,13E)-16-[1-(carboxymethyl)-5-oxo-2H-pyrrol-4-yl]-3-ethoxycarbonyl-2,3-dihydroxy-2,5,9,13-tetramethylhexadeca-9,13-dienoic acid
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| Structure |
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| Formula |
C29H45NO9
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| Molecular Weight |
551.677
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| Canonical SMILES |
CCOC(=O)C(O)(C[C@@H](C)CCC\C(C)=C\CC\C(C)=C\CCC1=CCN(CC(O)=O)C1=O)C(C)(O)C(O)=O
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| InChI |
InChI=1S/C29H45NO9/c1-6-39-27(36)29(38,28(5,37)26(34)35)18-22(4)14-8-12-20(2)10-7-11-21(3)13-9-15-23-16-17-30(25(23)33)19-24(31)32/h10,13,16,22,37-38H,6-9,11-12,14-15,17-19H2,1-5H3,(H,31,32)(H,34,35)/b20-10+,21-13+/t22-,28?,29?/m0/s1
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| InChIKey |
SQGYKNDGZPDTBW-YUFZARIUSA-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