General Information of the Compound
| Compound ID |
CP0053314
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| Compound Name |
3-((3,5-Bis(trifluoromethyl)phenyl)ethynyl)-1Hindazole
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| Structure |
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| Formula |
C17H8F6N2
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| Molecular Weight |
354.253
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C#Cc1n[nH]c2ccccc12
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| InChI |
InChI=1S/C17H8F6N2/c18-16(19,20)11-7-10(8-12(9-11)17(21,22)23)5-6-15-13-3-1-2-4-14(13)24-25-15/h1-4,7-9H,(H,24,25)
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| InChIKey |
PBTMDZSKRVIXLW-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