General Information of the Compound
| Compound ID |
CP0430629
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| Compound Name |
(3R,7E,11E)-14-[1-(carboxymethyl)-5-oxo-2H-pyrrol-4-yl]-3,7,11-trimethyltetradeca-7,11-dienoic acid
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| Structure |
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| Formula |
C23H35NO5
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| Molecular Weight |
405.535
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| Canonical SMILES |
C[C@H](CCC\C(C)=C\CC\C(C)=C\CCC1=CCN(CC(O)=O)C1=O)CC(O)=O
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| InChI |
InChI=1S/C23H35NO5/c1-17(9-5-11-19(3)15-21(25)26)7-4-8-18(2)10-6-12-20-13-14-24(23(20)29)16-22(27)28/h7,10,13,19H,4-6,8-9,11-12,14-16H2,1-3H3,(H,25,26)(H,27,28)/b17-7+,18-10+/t19-/m1/s1
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| InChIKey |
FYWCTUYAFXXJQJ-CVUGZRRRSA-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