General Information of the Compound
| Compound ID |
CP0294319
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| Compound Name |
2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
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| Structure |
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| Formula |
C20H12FN3
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| Molecular Weight |
313.335
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1C#N
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| InChI |
InChI=1S/C20H12FN3/c21-17-6-8-18(9-7-17)24-20-10-5-14(11-16(20)13-23-24)19-4-2-1-3-15(19)12-22/h1-11,13H
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| InChIKey |
VUTMSTDGJXSCFU-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