General Information of the Compound
| Compound ID |
CP0389725
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-methylsulfanyl-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 |
C28H29N7O3S
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| Molecular Weight |
543.653
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| Canonical SMILES |
CSc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)ccc1NC(=O)Nc1cc(nn1-c1ccc(C)cc1)C(C)(C)C
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| InChI |
InChI=1S/C28H29N7O3S/c1-16-6-8-17(9-7-16)35-23(15-22(34-35)28(2,3)4)31-26(36)30-19-11-10-18(14-21(19)39-5)38-20-12-13-29-25-24(20)32-27(37)33-25/h6-15H,1-5H3,(H2,30,31,36)(H2,29,32,33,37)
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| InChIKey |
WYDDMWQXUGWJIQ-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