General Information of the Compound
| Compound ID |
CP0962376
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| Compound Name |
3-((2-chloro-4-(trifluoromethyl)phenyl)ethynyl)-5-cyanobenzoic acid
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| Structure |
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| Formula |
C17H7ClF3NO2
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| Molecular Weight |
349.695
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| Canonical SMILES |
N#Cc1cc(C#Cc2ccc(C(F)(F)F)cc2Cl)cc(C(=O)O)c1
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| InChI |
InChI=1S/C17H7ClF3NO2/c18-15-8-14(17(19,20)21)4-3-12(15)2-1-10-5-11(9-22)7-13(6-10)16(23)24/h3-8H,(H,23,24)
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| InChIKey |
SDUVMNSAFKVCEC-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