General Information of the Compound
| Compound ID |
CP0499272
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| Compound Name |
N-butan-2-yl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C24H23F2N3O2
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| Molecular Weight |
423.463
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| Canonical SMILES |
CCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1
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| InChI |
InChI=1S/C24H23F2N3O2/c1-3-16(2)29(15-23(30)28-21-13-19(25)12-20(26)14-21)24(31)18-9-7-17(8-10-18)22-6-4-5-11-27-22/h4-14,16H,3,15H2,1-2H3,(H,28,30)
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| InChIKey |
KQJPQVAOMPTZKE-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