General Information of the Compound
| Compound ID |
CP0503183
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| Compound Name |
2-(4-(2-chloro-4-(trifluoromethyl)phenoxy)benzyl)malonic acid
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| Structure |
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| Formula |
C17H12ClF3O5
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| Molecular Weight |
388.725
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| Canonical SMILES |
OC(=O)C(Cc1ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C17H12ClF3O5/c18-13-8-10(17(19,20)21)3-6-14(13)26-11-4-1-9(2-5-11)7-12(15(22)23)16(24)25/h1-6,8,12H,7H2,(H,22,23)(H,24,25)
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| InChIKey |
WFCBSAGHROLWRJ-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