General Information of the Compound
| Compound ID |
CP0523642
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| Compound Name |
N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
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| Structure |
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| Formula |
C22H17F4N5O2
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| Molecular Weight |
459.403
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-c1nnc(CNC(=O)CCCc2ccc3cccnc3n2)o1
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| InChI |
InChI=1S/C22H17F4N5O2/c23-17-9-7-14(11-16(17)22(24,25)26)21-31-30-19(33-21)12-28-18(32)5-1-4-15-8-6-13-3-2-10-27-20(13)29-15/h2-3,6-11H,1,4-5,12H2,(H,28,32)
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| InChIKey |
ZMIOGQNUCJKRDT-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