General Information of the Compound
| Compound ID |
CP0471861
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| Compound Name |
6-bromo-3-methyl-N-(2-pyridin-3-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
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| Formula |
C22H18BrN3OS
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| Molecular Weight |
452.377
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| Canonical SMILES |
Cc1c(nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1)-c1cccs1
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| InChI |
InChI=1S/C22H18BrN3OS/c1-14-20(22(27)25-10-8-15-4-2-9-24-13-15)17-12-16(23)6-7-18(17)26-21(14)19-5-3-11-28-19/h2-7,9,11-13H,8,10H2,1H3,(H,25,27)
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| InChIKey |
OZNJZQNGFAXOPO-UHFFFAOYSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01823, Prostaglandin F2-alpha receptor