General Information of the Compound
| Compound ID |
CP0372745
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| Compound Name |
CHEMBL410704
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| Formula |
C21H26FNO5
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| Molecular Weight |
391.439
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| Canonical SMILES |
Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)c(F)c1
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| InChI |
InChI=1S/C21H26FNO5/c1-13-8-9-16(10-17(13)22)19-23-18(14(2)28-19)7-5-4-6-15-11-26-21(3,20(24)25)27-12-15/h8-10,15H,4-7,11-12H2,1-3H3,(H,24,25)/t15-,21+
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| InChIKey |
KZUDVENDSUODSU-GGYDESQDSA-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma