General Information of the Compound
| Compound ID |
CP0319910
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| Compound Name |
4-((1H-Indazol-3-yl)ethynyl)benzonitrile
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| Structure |
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| Formula |
C16H9N3
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| Molecular Weight |
243.269
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| Canonical SMILES |
N#Cc1ccc(cc1)C#Cc1n[nH]c2ccccc12
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| InChI |
InChI=1S/C16H9N3/c17-11-13-7-5-12(6-8-13)9-10-16-14-3-1-2-4-15(14)18-19-16/h1-8H,(H,18,19)
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| InChIKey |
CVGIMJXXSMYXAG-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