General Information of the Compound
| Compound ID |
CP0422670
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| Compound Name |
CHEMBL401616
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| Formula |
C20H25NO5
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| Molecular Weight |
359.422
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| Canonical SMILES |
Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+
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| InChIKey |
CKMOMMWDPGJJAW-GSXCWMCISA-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: PT00915, Peroxisome proliferator-activated receptor gamma