General Information of the Compound
| Compound ID |
CP0507514
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-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 |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(C)(C)C
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| InChI |
InChI=1S/C27H27N7O3/c1-16-5-9-18(10-6-16)34-22(15-21(33-34)27(2,3)4)30-25(35)29-17-7-11-19(12-8-17)37-20-13-14-28-24-23(20)31-26(36)32-24/h5-15H,1-4H3,(H2,29,30,35)(H2,28,31,32,36)
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| InChIKey |
IKRDVVJQOPUKID-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