General Information of the Compound
| Compound ID |
CP0441306
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| Compound Name |
2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid
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| Structure |
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| Formula |
C17H16ClNO4S2
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| Molecular Weight |
397.905
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
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| InChI |
InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)
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| InChIKey |
JLTOBJCKUQTVPT-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2