General Information of the Compound
| Compound ID |
CP0481524
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| Compound Name |
4-[(1S)-1-({[4-(3-Chlorobenzyl)-3-thienyl]carbonyl}amino)ethyl]-benzoic Acid
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| Structure |
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| Formula |
C21H18ClNO3S
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| Molecular Weight |
399.899
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| Canonical SMILES |
C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H18ClNO3S/c1-13(15-5-7-16(8-6-15)21(25)26)23-20(24)19-12-27-11-17(19)9-14-3-2-4-18(22)10-14/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26)/t13-/m0/s1
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| InChIKey |
CKYFFWHUNIOYDH-ZDUSSCGKSA-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: PT02279, Prostacyclin receptor
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2
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: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor