General Information of the Compound
| Compound ID |
CP0502399
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| Compound Name |
2-(1-(4-cyano-3-ethoxyphenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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| Structure |
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| Formula |
C19H17N3O5S
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| Molecular Weight |
399.428
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| Canonical SMILES |
CCOc1cc(ccc1C#N)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12
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| InChI |
InChI=1S/C19H17N3O5S/c1-3-27-17-9-14(7-6-13(17)11-20)28(25,26)22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10H2,1-2H3,(H,23,24)
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| InChIKey |
ITNSLTGQTVSAKU-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: PT01171, Prostaglandin D2 receptor 2