General Information of the Compound
| Compound ID |
CP0535904
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| Compound Name |
4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
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| Structure |
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| Formula |
C26H22F3N3O2
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| Molecular Weight |
465.475
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1
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| InChI |
InChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-7-1-4-21(16-23)19-11-9-18(10-12-19)17-31-24(33)8-2-6-22-14-13-20-5-3-15-30-25(20)32-22/h1,3-5,7,9-16H,2,6,8,17H2,(H,31,33)
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| InChIKey |
IYJBGUHBYDUPEB-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