General Information of the Compound
| Compound ID |
CP0510260
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| Compound Name |
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(2-methoxyphenoxy)methyl]phenyl}-propanoic acid
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| Structure |
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| Formula |
C31H37NO5
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| Molecular Weight |
503.639
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| Canonical SMILES |
COc1ccccc1OCc1ccc(CCC(O)=O)c(c1)C(=O)N[C@H](CC(C)C)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C31H37NO5/c1-20(2)14-27(25-16-21(3)15-22(4)17-25)32-31(35)26-18-23(10-11-24(26)12-13-30(33)34)19-37-29-9-7-6-8-28(29)36-5/h6-11,15-18,20,27H,12-14,19H2,1-5H3,(H,32,35)(H,33,34)/t27-/m1/s1
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| InChIKey |
QZNQZQBZJIZFSU-HHHXNRCGSA-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: 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