General Information of the Compound
| Compound ID |
CP0390810
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| Compound Name |
3-(4-[(3,5-Dimethylphenyl)amino]-2-{[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl}phenyl)propanoic acid
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| Structure |
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| Formula |
C31H38N2O3
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| Molecular Weight |
486.656
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)c1cc(Nc2cc(C)cc(C)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C31H38N2O3/c1-19(2)11-29(25-14-20(3)12-21(4)15-25)33-31(36)28-18-26(9-7-24(28)8-10-30(34)35)32-27-16-22(5)13-23(6)17-27/h7,9,12-19,29,32H,8,10-11H2,1-6H3,(H,33,36)(H,34,35)/t29-/m1/s1
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| InChIKey |
VPHANUYHALYOJJ-GDLZYMKVSA-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