General Information of the Compound
| Compound ID |
CP0449211
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| Compound Name |
N-[5-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]-4-(2-morpholin-4-ylethoxy)benzamide
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| Structure |
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| Formula |
C27H28N6O5S
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| Molecular Weight |
548.625
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| Canonical SMILES |
Cc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)s2)no1
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| InChI |
InChI=1S/C27H28N6O5S/c1-18-16-24(32-38-18)30-26(35)29-21-6-2-19(3-7-21)23-17-28-27(39-23)31-25(34)20-4-8-22(9-5-20)37-15-12-33-10-13-36-14-11-33/h2-9,16-17H,10-15H2,1H3,(H,28,31,34)(H2,29,30,32,35)
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| InChIKey |
BRQRIWCNAPETPD-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: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2