General Information of the Compound
| Compound ID |
CP0511974
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| Compound Name |
2-((2-(5-chloro-1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)ethyl)(methyl)amino)acetic acid
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| Structure |
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| Formula |
C20H18ClNO4
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| Molecular Weight |
371.82
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| Canonical SMILES |
CN(CCC1(C(=O)c2ccc(Cl)cc2C1=O)c1ccccc1)CC(O)=O
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| InChI |
InChI=1S/C20H18ClNO4/c1-22(12-17(23)24)10-9-20(13-5-3-2-4-6-13)18(25)15-8-7-14(21)11-16(15)19(20)26/h2-8,11H,9-10,12H2,1H3,(H,23,24)
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| InChIKey |
HNKOIHBLEVOKML-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