General Information of the Compound
| Compound ID |
CP0476481
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| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea
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| Structure |
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| Formula |
C32H29N7O3
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| Molecular Weight |
559.63
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| Canonical SMILES |
Cc1nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c4ccccc34)c2[nH]c1=O
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| InChI |
InChI=1S/C32H29N7O3/c1-19-30(40)37-28-25(16-17-33-29(28)34-19)42-24-15-14-23(21-12-8-9-13-22(21)24)35-31(41)36-27-18-26(32(2,3)4)38-39(27)20-10-6-5-7-11-20/h5-18H,1-4H3,(H,37,40)(H2,35,36,41)
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| InChIKey |
MGXQYMXBHLZJIT-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