General Information of the Compound
| Compound ID |
CP0440188
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| Compound Name |
3-[2-({[(1S)-1-(1-Naphthyl)ethyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C29H27NO4
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| Molecular Weight |
453.538
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| Canonical SMILES |
C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H27NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-15,18,20H,16-17,19H2,1H3,(H,30,33)(H,31,32)/t20-/m0/s1
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| InChIKey |
VPXMPIBOESHHAF-FQEVSTJZSA-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