General Information of the Compound
| Compound ID |
CP0496924
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| Compound Name |
CHEMBL270835
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| Formula |
C21H27NO5
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| Molecular Weight |
373.449
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| Canonical SMILES |
Cc1oc(nc1CCCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C21H27NO5/c1-15-18(22-19(27-15)17-10-6-4-7-11-17)12-8-3-5-9-16-13-25-21(2,20(23)24)26-14-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3,(H,23,24)/t16-,21+
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| InChIKey |
SJJKYRQEZVXZHG-NBEIKUQISA-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma