General Information of the Compound
| Compound ID |
CP0508640
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| Compound Name |
3-fluoro-4-[[5-fluoro-6-[4-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C21H22F3N7O2
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| Molecular Weight |
461.448
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| Canonical SMILES |
CC(C)(F)c1noc(n1)C1CCN(CC1)c1ncnc(Nc2ccc(cc2F)C(N)=O)c1F
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| InChI |
InChI=1S/C21H22F3N7O2/c1-21(2,24)20-29-19(33-30-20)11-5-7-31(8-6-11)18-15(23)17(26-10-27-18)28-14-4-3-12(16(25)32)9-13(14)22/h3-4,9-11H,5-8H2,1-2H3,(H2,25,32)(H,26,27,28)
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| InChIKey |
RHYMOJWEUNUDFE-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