General Information of the Compound
| Compound ID |
CP0400012
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| Compound Name |
1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
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| Structure |
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| Formula |
C25H25N7O3
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| Molecular Weight |
471.521
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| Canonical SMILES |
Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C
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| InChI |
InChI=1S/C25H25N7O3/c1-25(2,3)19-13-20(32(4)31-19)28-23(33)27-16-9-10-17(15-8-6-5-7-14(15)16)35-18-11-12-26-22-21(18)29-24(34)30-22/h5-13H,1-4H3,(H2,27,28,33)(H2,26,29,30,34)
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| InChIKey |
KSNPWIDVLPHDGT-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