General Information of the Compound
| Compound ID |
CP0411779
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| Compound Name |
1,3-bis(2-carboxyethyl)-4,6-dichloroindole-2-carboxylic acid
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| Structure |
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| Formula |
C15H13Cl2NO6
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| Molecular Weight |
374.176
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| Canonical SMILES |
OC(=O)CCc1c(C(O)=O)n(CCC(O)=O)c2cc(Cl)cc(Cl)c12
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| InChI |
InChI=1S/C15H13Cl2NO6/c16-7-5-9(17)13-8(1-2-11(19)20)14(15(23)24)18(10(13)6-7)4-3-12(21)22/h5-6H,1-4H2,(H,19,20)(H,21,22)(H,23,24)
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| InChIKey |
YMVOSFQQMGHRKY-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
Protein ID: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor