General Information of the Compound
| Compound ID |
CP0860121
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| Compound Name |
(5-(tert-butyl)isoxazol-3-yl)-3-(4-(1-(4-(2-morpholinoethoxy)-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)phenyl)urea
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| Structure |
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| Formula |
C28H32N8O6
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| Molecular Weight |
576.614
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(-c4ccc(OCCN5CCOCC5)c([N+](=O)[O-])c4)nn3)cc2)no1
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| InChI |
InChI=1S/C28H32N8O6/c1-28(2,3)25-17-26(32-42-25)30-27(37)29-20-6-4-19(5-7-20)22-18-35(33-31-22)21-8-9-24(23(16-21)36(38)39)41-15-12-34-10-13-40-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,29,30,32,37)
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| InChIKey |
HGASFWBCJMIDEF-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