General Information of the Compound
| Compound ID |
CP0948476
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| Compound Name |
1-(5-(tert-butyl)isoxazol-3-yl)-3-(2-methyl-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 |
C29H35N7O4
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| Molecular Weight |
545.644
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| Canonical SMILES |
Cc1cc(-c2cn(-c3ccc(OCCN4CCOCC4)cc3)nn2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1
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| InChI |
InChI=1S/C29H35N7O4/c1-20-17-21(5-10-24(20)30-28(37)31-27-18-26(40-33-27)29(2,3)4)25-19-36(34-32-25)22-6-8-23(9-7-22)39-16-13-35-11-14-38-15-12-35/h5-10,17-19H,11-16H2,1-4H3,(H2,30,31,33,37)
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| InChIKey |
HAHWGKJUWVIQNH-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