General Information of the Compound
| Compound ID |
CP0404910
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| Compound Name |
2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
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| Structure |
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| Formula |
C17H12ClN3O4S
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| Molecular Weight |
389.82
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| Canonical SMILES |
Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N
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| InChI |
InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23)
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| InChIKey |
OZCGPVBNRJKAGT-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