General Information of the Compound
| Compound ID |
CP0548585
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| Compound Name |
2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-hydroxy-N-isopropyl-acetamide(Indomethacin series)
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| Structure |
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| Formula |
C22H23ClN2O4
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| Molecular Weight |
414.889
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| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(O)C(C)C)c2c1
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| InChI |
InChI=1S/C22H23ClN2O4/c1-13(2)25(28)21(26)12-18-14(3)24(20-10-9-17(29-4)11-19(18)20)22(27)15-5-7-16(23)8-6-15/h5-11,13,28H,12H2,1-4H3
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| InChIKey |
XGXXAGGMMNRRPP-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