General Information of the Compound
| Compound ID |
CP0401854
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| Compound Name |
3-[4-(3-Cyanophenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C30H32N2O4
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| Molecular Weight |
484.596
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)c1cc(Oc2cccc(c2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C30H32N2O4/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)32-30(35)27-17-26(10-8-23(27)9-11-29(33)34)36-25-7-5-6-22(16-25)18-31/h5-8,10,13-17,19,28H,9,11-12H2,1-4H3,(H,32,35)(H,33,34)/t28-/m1/s1
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| InChIKey |
KQHUNKWLYGBOGY-MUUNZHRXSA-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