General Information of the Compound
| Compound ID |
CP0427397
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| Compound Name |
4-[(1S)-1-[[5-(cyclopenten-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C25H23F3N4O3
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| Molecular Weight |
484.478
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| Canonical SMILES |
C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1=CCCC1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H23F3N4O3/c1-15(17-8-10-19(11-9-17)24(34)35)29-23(33)22-21(18-4-2-3-5-18)30-31-32(22)14-16-6-12-20(13-7-16)25(26,27)28/h4,6-13,15H,2-3,5,14H2,1H3,(H,29,33)(H,34,35)/t15-/m0/s1
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| InChIKey |
OJAWAOZKEDMHFJ-HNNXBMFYSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype