General Information of the Compound
| Compound ID |
CP0439527
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| Compound Name |
2-[1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
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| Structure |
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| Formula |
C27H23NO6
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| Molecular Weight |
457.482
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| Canonical SMILES |
Cc1cc2c(CC(O)=O)cccc2n1C(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1
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| InChI |
InChI=1S/C27H23NO6/c1-17-13-22-19(14-26(29)30)5-4-6-23(22)28(17)27(31)18-9-11-20(12-10-18)32-15-21-16-33-24-7-2-3-8-25(24)34-21/h2-13,21H,14-16H2,1H3,(H,29,30)/t21-/m1/s1
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| InChIKey |
OCCPUDPMKJXBQC-OAQYLSRUSA-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