General Information of the Compound
| Compound ID |
CP0431076
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| Compound Name |
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C21H22FN3O
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| Molecular Weight |
351.425
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2cc(CNC(=O)C3CCCCC3)ccc12
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| InChI |
InChI=1S/C21H22FN3O/c22-18-7-9-19(10-8-18)25-20-11-6-15(12-17(20)14-24-25)13-23-21(26)16-4-2-1-3-5-16/h6-12,14,16H,1-5,13H2,(H,23,26)
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| InChIKey |
QBNPYPZHAGFXGO-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