General Information of the Compound
| Compound ID |
CP0042409
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| Compound Name |
2-[2-[4-(4-ethylphenyl)benzoyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
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| Structure |
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| Formula |
C28H26N2O3
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| Molecular Weight |
438.527
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| Canonical SMILES |
CCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)c1ccccc1n2CC(O)=O
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| InChI |
InChI=1S/C28H26N2O3/c1-2-19-7-9-20(10-8-19)21-11-13-22(14-12-21)28(33)29-16-15-26-24(17-29)23-5-3-4-6-25(23)30(26)18-27(31)32/h3-14H,2,15-18H2,1H3,(H,31,32)
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| InChIKey |
PJEVQOJEJXZQAR-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: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01819, Thromboxane A2 receptor