General Information of the Compound
| Compound ID |
CP0397608
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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]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C23H26F3N7O2
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| Molecular Weight |
489.502
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| Canonical SMILES |
CN(C)C(=O)c1ccc(Nc2ncnc(N3CCC(CC3)c3nc(no3)C(C)(C)F)c2F)c(F)c1
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| InChI |
InChI=1S/C23H26F3N7O2/c1-23(2,26)22-30-20(35-31-22)13-7-9-33(10-8-13)19-17(25)18(27-12-28-19)29-16-6-5-14(11-15(16)24)21(34)32(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,27,28,29)
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| InChIKey |
XGJZRVVCWLCQCJ-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