General Information of the Compound
| Compound ID |
CP0504283
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| Compound Name |
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylpentanamide
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| Structure |
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| Formula |
C20H22FN3O
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| Molecular Weight |
339.414
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| Canonical SMILES |
CCCC(C)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H22FN3O/c1-3-4-14(2)20(25)22-12-15-5-10-19-16(11-15)13-23-24(19)18-8-6-17(21)7-9-18/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,25)
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| InChIKey |
CPPOCKDLLMLTSE-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