General Information of the Compound
| Compound ID |
CP0938646
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| Compound Name |
1-(5-(tert-butyl)isoxazol-3-yl)-3-(4-(1-(4-(2-morpholinoethoxy)-2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)phenyl)urea
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| Structure |
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| Formula |
C29H32F3N7O4
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| Molecular Weight |
599.614
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(-c4ccc(OCCN5CCOCC5)cc4C(F)(F)F)nn3)cc2)no1
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| InChI |
InChI=1S/C29H32F3N7O4/c1-28(2,3)25-17-26(36-43-25)34-27(40)33-20-6-4-19(5-7-20)23-18-39(37-35-23)24-9-8-21(16-22(24)29(30,31)32)42-15-12-38-10-13-41-14-11-38/h4-9,16-18H,10-15H2,1-3H3,(H2,33,34,36,40)
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| InChIKey |
QIMULUTWLAYGAD-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