General Information of the Compound
| Compound ID |
CP0255497
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| Compound Name |
2-((2-(4,5-dichloro-2-(4-fluorophenyl)-6-methoxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)ethyl)(methyl)amino)acetic acid
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| Structure |
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| Formula |
C21H18Cl2FNO5
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| Molecular Weight |
454.281
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| Canonical SMILES |
COc1cc2C(=O)C(CCN(C)CC(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H18Cl2FNO5/c1-25(10-15(26)27)8-7-21(11-3-5-12(24)6-4-11)19(28)13-9-14(30-2)17(22)18(23)16(13)20(21)29/h3-6,9H,7-8,10H2,1-2H3,(H,26,27)
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| InChIKey |
KKJUURMUZVOPFR-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