General Information of the Compound
| Compound ID |
CP0459607
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| Compound Name |
2-[2-methyl-3-[(4-methylsulfonylphenyl)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 |
C18H20N2O5S
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| Molecular Weight |
376.434
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| Canonical SMILES |
Cc1c(Cc2ccc(cc2)S(C)(=O)=O)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C18H20N2O5S/c1-11-14(9-12-3-5-13(6-4-12)26(2,24)25)17-15(7-8-19-18(17)23)20(11)10-16(21)22/h3-6H,7-10H2,1-2H3,(H,19,23)(H,21,22)
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| InChIKey |
OZFUYXCCFGIPPN-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