General Information of the Compound
| Compound ID |
CP0391021
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| Compound Name |
3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]-propanoic acid
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| Structure |
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| Formula |
C30H33F2NO4
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| Molecular Weight |
509.593
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1
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| InChIKey |
WJWSOMYLMUTCOD-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