General Information of the Compound
| Compound ID |
CP0442227
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| Compound Name |
2-[2-methyl-1-(4-phenylmethoxybenzoyl)indol-4-yl]acetic acid
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| Structure |
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| Formula |
C25H21NO4
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| Molecular Weight |
399.446
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| Canonical SMILES |
Cc1cc2c(CC(O)=O)cccc2n1C(=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C25H21NO4/c1-17-14-22-20(15-24(27)28)8-5-9-23(22)26(17)25(29)19-10-12-21(13-11-19)30-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,27,28)
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| InChIKey |
KBGBVBBZGMDNAA-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: 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