General Information of the Compound
| Compound ID |
CP0441017
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| Compound Name |
CHEMBL404439
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| Formula |
C24H25NO5
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| Molecular Weight |
407.466
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| Canonical SMILES |
Cc1oc(nc1Cc1cccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)c1)-c1ccccc1
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| InChI |
InChI=1S/C24H25NO5/c1-16-21(25-22(30-16)20-9-4-3-5-10-20)13-18-8-6-7-17(11-18)12-19-14-28-24(2,23(26)27)29-15-19/h3-11,19H,12-15H2,1-2H3,(H,26,27)/t19-,24+
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| InChIKey |
VECHOKOQWBGLST-DQMBHMMVSA-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