General Information of the Compound
| Compound ID |
CP0445848
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| Compound Name |
2-[2-methyl-1-[4-(3-phenylpropoxy)benzoyl]indol-4-yl]acetic acid
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| Structure |
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| Formula |
C27H25NO4
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| Molecular Weight |
427.5
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| Canonical SMILES |
Cc1cc2c(CC(O)=O)cccc2n1C(=O)c1ccc(OCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H25NO4/c1-19-17-24-22(18-26(29)30)10-5-11-25(24)28(19)27(31)21-12-14-23(15-13-21)32-16-6-9-20-7-3-2-4-8-20/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3,(H,29,30)
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| InChIKey |
WZVODYACIPKUAB-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: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype