General Information of the Compound
| Compound ID |
CP0931021
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| Compound Name |
1-(5-(tert-butyl)isoxazol-3-yl)-3-(2-fluoro-4-(1-(4-(2-morpholinoethoxy)phenyl)-1H-1,2,3-triazol-4-yl)phenyl)urea
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| Structure |
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| Formula |
C28H32FN7O4
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| Molecular Weight |
549.607
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(-c4ccc(OCCN5CCOCC5)cc4)nn3)cc2F)no1
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| InChI |
InChI=1S/C28H32FN7O4/c1-28(2,3)25-17-26(33-40-25)31-27(37)30-23-9-4-19(16-22(23)29)24-18-36(34-32-24)20-5-7-21(8-6-20)39-15-12-35-10-13-38-14-11-35/h4-9,16-18H,10-15H2,1-3H3,(H2,30,31,33,37)
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| InChIKey |
MSMOZKMPTDJOEK-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