General Information of the Compound
| Compound ID |
CP0294295
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| Compound Name |
5-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-2,3-dihydro-1H-indene-2-carboxylic acid
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| Structure |
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| Formula |
C29H25Cl2NO4
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| Molecular Weight |
522.428
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2CC(Cc2c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H25Cl2NO4/c1-16(2)28-23(27(32-36-28)26-24(30)4-3-5-25(26)31)15-35-22-10-8-17(9-11-22)18-6-7-19-13-21(29(33)34)14-20(19)12-18/h3-12,16,21H,13-15H2,1-2H3,(H,33,34)
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| InChIKey |
NECTWCGVXCXHKE-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