General Information of the Compound
| Compound ID |
CP0494264
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| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)sulfanyl]phenyl]urea
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| Structure |
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| Formula |
C26H25N7O2S
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| Molecular Weight |
499.6
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Sc3ccnc4[nH]c(=O)[nH]c34)cc2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C26H25N7O2S/c1-26(2,3)20-15-21(33(32-20)17-7-5-4-6-8-17)29-24(34)28-16-9-11-18(12-10-16)36-19-13-14-27-23-22(19)30-25(35)31-23/h4-15H,1-3H3,(H2,28,29,34)(H2,27,30,31,35)
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| InChIKey |
OTPQJJMKSFOAHC-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