General Information of the Compound
| Compound ID |
CP0418223
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| Compound Name |
2-[3-[(2-ethylsulfonylphenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C19H22N2O5S
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| Molecular Weight |
390.461
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| Canonical SMILES |
CCS(=O)(=O)c1ccccc1Cc1c(C)n(CC(O)=O)c2CCNC(=O)c12
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| InChI |
InChI=1S/C19H22N2O5S/c1-3-27(25,26)16-7-5-4-6-13(16)10-14-12(2)21(11-17(22)23)15-8-9-20-19(24)18(14)15/h4-7H,3,8-11H2,1-2H3,(H,20,24)(H,22,23)
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| InChIKey |
XEXVNTNOMKNJOF-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