General Information of the Compound
| Compound ID |
CP0394931
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| Compound Name |
CHEMBL271873
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| Formula |
C23H31NO5
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| Molecular Weight |
401.503
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| Canonical SMILES |
CC(C)C[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O
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| InChI |
InChI=1S/C23H31NO5/c1-16(2)13-23(22(25)26)27-14-18(15-28-23)9-7-8-12-20-17(3)29-21(24-20)19-10-5-4-6-11-19/h4-6,10-11,16,18H,7-9,12-15H2,1-3H3,(H,25,26)/t18-,23+
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| InChIKey |
YXRNZNYFVDQXRS-QRTMHTFLSA-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