General Information of the Compound
| Compound ID |
CP0883081
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| Compound Name |
{1-[1-(4-Methanesulfonyl-phenyl)-ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-aceticacid
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| Structure |
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| Formula |
C19H20N2O4S
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| Molecular Weight |
372.446
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| Canonical SMILES |
Cc1c(CC(=O)O)c2cccnc2n1C(C)c1ccc(S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C19H20N2O4S/c1-12(14-6-8-15(9-7-14)26(3,24)25)21-13(2)17(11-18(22)23)16-5-4-10-20-19(16)21/h4-10,12H,11H2,1-3H3,(H,22,23)
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| InChIKey |
HGOCBGDTYMERHN-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