General Information of the Compound
| Compound ID |
CP0414920
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| Compound Name |
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(3-methylphenyl)amino]phenyl}propanoic acid
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| Structure |
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| Formula |
C30H36N2O3
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| Molecular Weight |
472.629
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)c1cc(Nc2cccc(C)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C30H36N2O3/c1-19(2)13-28(24-15-21(4)14-22(5)16-24)32-30(35)27-18-26(11-9-23(27)10-12-29(33)34)31-25-8-6-7-20(3)17-25/h6-9,11,14-19,28,31H,10,12-13H2,1-5H3,(H,32,35)(H,33,34)/t28-/m1/s1
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| InChIKey |
ZZJHRDCBOAXDCW-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