General Information of the Compound
| Compound ID |
CP0374032
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| Compound Name |
1-(2-benzyl-5-tert-butylpyrazol-3-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C27H27N7O3
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| Molecular Weight |
497.559
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(Cc2ccccc2)n1
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| InChI |
InChI=1S/C27H27N7O3/c1-27(2,3)21-15-22(34(33-21)16-17-7-5-4-6-8-17)30-25(35)29-18-9-11-19(12-10-18)37-20-13-14-28-24-23(20)31-26(36)32-24/h4-15H,16H2,1-3H3,(H2,29,30,35)(H2,28,31,32,36)
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| InChIKey |
XMRFQIBMKVNRGX-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