General Information of the Compound
| Compound ID |
CP0466054
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| Compound Name |
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(oxan-4-yl)-4-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C25H23F2N3O3
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| Molecular Weight |
451.473
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| Canonical SMILES |
Fc1cc(F)cc(NC(=O)CN(C2CCOCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
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| InChI |
InChI=1S/C25H23F2N3O3/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-8-11-33-12-9-22)25(32)18-6-4-17(5-7-18)23-3-1-2-10-28-23/h1-7,10,13-15,22H,8-9,11-12,16H2,(H,29,31)
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| InChIKey |
ZECWXZXMXBVQIW-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