General Information of the Compound
| Compound ID |
CP0672878
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| Compound Name |
1-(3,3-dimethylbutyl)-3-(4-methyl-3-(2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl)phenyl)urea
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| Structure |
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| Formula |
C24H31N5O
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| Molecular Weight |
405.546
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| Canonical SMILES |
CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C)ccc3C)cc2cn1
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| InChI |
InChI=1S/C24H31N5O/c1-15-7-8-18(29-23(30)26-10-9-24(3,4)5)12-19(15)20-11-17-14-27-22(25-6)13-21(17)28-16(20)2/h7-8,11-14H,9-10H2,1-6H3,(H,25,27)(H2,26,29,30)
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| InChIKey |
WLXZGXQZOPTKEN-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
Protein ID: PT03462, GTPase KRas
Protein ID: PT01381, Serine/threonine-protein kinase B-raf