General Information of the Compound
| Compound ID |
CP0490053
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| Compound Name |
2-[2-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)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 |
C21H25N3O6S
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| Molecular Weight |
447.513
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)N2CCOCC2)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C21H25N3O6S/c1-14-16(20-17(6-7-22-21(20)27)24(14)13-19(25)26)12-15-4-2-3-5-18(15)31(28,29)23-8-10-30-11-9-23/h2-5H,6-13H2,1H3,(H,22,27)(H,25,26)
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| InChIKey |
HRGULNRFHFQQSC-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