General Information of the Compound
| Compound ID |
CP0523855
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| Compound Name |
1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C22H22FN7O3
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| Molecular Weight |
451.462
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| Canonical SMILES |
Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C22H22FN7O3/c1-22(2,3)16-10-17(30(4)29-16)27-21(32)26-14-6-5-12(9-13(14)23)33-15-7-8-24-20-19(15)25-11-18(31)28-20/h5-11H,1-4H3,(H,24,28,31)(H2,26,27,32)
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| InChIKey |
OOJVWYRPQYBDSO-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