General Information of the Compound
| Compound ID |
CP0499693
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| Compound Name |
2-[4-methoxy-3-[2-[[(1S)-1-phenylethyl]carbamoyl]-4-(propanoylamino)phenoxy]phenyl]acetic acid
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| Structure |
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| Formula |
C27H28N2O6
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| Molecular Weight |
476.529
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| Canonical SMILES |
CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C27H28N2O6/c1-4-25(30)29-20-11-13-22(35-24-14-18(15-26(31)32)10-12-23(24)34-3)21(16-20)27(33)28-17(2)19-8-6-5-7-9-19/h5-14,16-17H,4,15H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t17-/m0/s1
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| InChIKey |
HASRYYYWDJQTTH-KRWDZBQOSA-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