General Information of the Compound
| Compound ID |
CP0518753
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| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C27H25N7O3
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| Molecular Weight |
495.543
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ccnc4[nH]c(=O)cnc34)c2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H25N7O3/c1-27(2,3)21-15-22(34(33-21)18-9-5-4-6-10-18)31-26(36)30-17-8-7-11-19(14-17)37-20-12-13-28-25-24(20)29-16-23(35)32-25/h4-16H,1-3H3,(H,28,32,35)(H2,30,31,36)
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| InChIKey |
KTMFTRSJDBIAFV-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