General Information of the Compound
| Compound ID |
CP0364335
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| Compound Name |
phenylpropanoic acid derivative, 29
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| Structure |
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| Formula |
C27H22N2O3
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| Molecular Weight |
422.484
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| Canonical SMILES |
Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2cccnc2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H22N2O3/c1-19-25(29-26(32-19)22-8-3-2-4-9-22)11-5-7-20-12-14-21(15-13-20)17-24(27(30)31)23-10-6-16-28-18-23/h2-4,6,8-10,12-16,18,24H,11,17H2,1H3,(H,30,31)
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| InChIKey |
JANZNJGVOWUOBK-UHFFFAOYSA-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