General Information of the Compound
| Compound ID |
CP0546486
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| Compound Name |
1-but-2-ynyl-6-(3-fluoro-4-propan-2-yloxyanilino)-3-propan-2-yl-1,3,5-triazine-2,4-dione
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| Structure |
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| Formula |
C19H23FN4O3
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| Molecular Weight |
374.416
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| Canonical SMILES |
CC#CCn1c(Nc2ccc(OC(C)C)c(F)c2)nc(=O)n(C(C)C)c1=O
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| InChI |
InChI=1S/C19H23FN4O3/c1-6-7-10-23-17(22-18(25)24(12(2)3)19(23)26)21-14-8-9-16(15(20)11-14)27-13(4)5/h8-9,11-13H,10H2,1-5H3,(H,21,22,25)
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| InChIKey |
NOIAAZAPMZPBID-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