General Information of the Compound
| Compound ID |
CP0486387
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| Compound Name |
2-[1-[4-(1,3-benzodioxol-2-ylmethoxy)benzoyl]-2-methylindol-4-yl]acetic acid
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| Structure |
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| Formula |
C26H21NO6
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| Molecular Weight |
443.455
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| Canonical SMILES |
Cc1cc2c(CC(O)=O)cccc2n1C(=O)c1ccc(OCC2Oc3ccccc3O2)cc1
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| InChI |
InChI=1S/C26H21NO6/c1-16-13-20-18(14-24(28)29)5-4-6-21(20)27(16)26(30)17-9-11-19(12-10-17)31-15-25-32-22-7-2-3-8-23(22)33-25/h2-13,25H,14-15H2,1H3,(H,28,29)
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| InChIKey |
NGFCHDLVALKPTJ-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT02987, Prostaglandin D2 receptor
Protein ID: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype