General Information of the Compound
| Compound ID |
CP0485456
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| Compound Name |
2-[1-(4-butoxybenzoyl)-2-methylindol-4-yl]acetic acid
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| Structure |
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| Formula |
C22H23NO4
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| Molecular Weight |
365.429
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| Canonical SMILES |
CCCCOc1ccc(cc1)C(=O)n1c(C)cc2c(CC(O)=O)cccc12
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| InChI |
InChI=1S/C22H23NO4/c1-3-4-12-27-18-10-8-16(9-11-18)22(26)23-15(2)13-19-17(14-21(24)25)6-5-7-20(19)23/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,25)
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| InChIKey |
HSIPEEIFZHZSBZ-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