General Information of the Compound
| Compound ID |
CP0917066
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| Compound Name |
1-(3-Tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(2-oxo-2,3-dihydro-1Himidazo[4,5-b]pyridin-7-yloxy)phenyl)urea
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| Structure |
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| Formula |
C28H28N6O3
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| Molecular Weight |
496.571
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| Canonical SMILES |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)cc1
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| InChI |
InChI=1S/C28H28N6O3/c1-17-11-13-19(14-12-17)34-24(16-23(33-34)28(2,3)4)31-26(35)29-18-7-5-8-20(15-18)37-22-10-6-9-21-25(22)32-27(36)30-21/h5-16H,1-4H3,(H2,29,31,35)(H2,30,32,36)
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| InChIKey |
ZTACXBXWMJJNJG-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