General Information of the Compound
| Compound ID |
CP0403513
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| Compound Name |
2-[4-[2-[(4-chlorophenyl)methylcarbamoylamino]-4-(ethylcarbamoyl)phenoxy]-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C26H26ClN3O6
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| Molecular Weight |
511.962
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| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NC(=O)NCc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C26H26ClN3O6/c1-3-28-25(33)18-7-11-21(36-22-10-6-17(13-24(31)32)12-23(22)35-2)20(14-18)30-26(34)29-15-16-4-8-19(27)9-5-16/h4-12,14H,3,13,15H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34)
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| InChIKey |
FJRJKZCMXKMWNP-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