General Information of the Compound
| Compound ID |
CP0045572
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| Compound Name |
3-(Phenylethynyl)-1H-indazole
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| Structure |
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| Formula |
C15H10N2
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| Molecular Weight |
218.259
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| Canonical SMILES |
c1ccc(cc1)C#Cc1n[nH]c2ccccc12
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| InChI |
InChI=1S/C15H10N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,(H,16,17)
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| InChIKey |
PBVODLIVAWFCPQ-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