General Information of the Compound
| Compound ID |
CP0564330
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| Compound Name |
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C26H26FNO3S
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| Molecular Weight |
451.563
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| Canonical SMILES |
C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2CCCCc12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H26FNO3S/c1-16(18-9-11-19(12-10-18)26(30)31)28-25(29)24-21-4-2-3-5-22(21)32-23(24)15-8-17-6-13-20(27)14-7-17/h6-7,9-14,16H,2-5,8,15H2,1H3,(H,28,29)(H,30,31)/t16-/m0/s1
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| InChIKey |
RQVAVUQBBODXPI-INIZCTEOSA-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: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype