General Information of the Compound
| Compound ID |
CP0413440
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| Compound Name |
N-ethyl-N-[(4-fluorophenyl)methyl]-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C22H25FN4O3S
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| Molecular Weight |
444.532
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| Canonical SMILES |
CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
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| InChI |
InChI=1S/C22H25FN4O3S/c1-2-26(15-16-3-6-19(23)7-4-16)22(28)17-9-11-27(12-10-17)31(29,30)20-8-5-18-14-24-25-21(18)13-20/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,24,25)
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| InChIKey |
XAXOLDXJQSAOOY-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