General Information of the Compound
| Compound ID |
CP0400013
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C28H29N7O3
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| Molecular Weight |
511.586
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)cc1)C(C)(C)C
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| InChI |
InChI=1S/C28H29N7O3/c1-17-6-10-19(11-7-17)35-23(16-22(33-35)28(2,3)4)31-26(36)30-18-8-12-20(13-9-18)38-21-14-15-29-25-24(21)34(5)27(37)32-25/h6-16H,1-5H3,(H,29,32,37)(H2,30,31,36)
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| InChIKey |
IWCDCZFOQLWWGL-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