General Information of the Compound
| Compound ID |
CP0381461
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| Compound Name |
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
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| Structure |
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| Formula |
C30H35N7O5
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| Molecular Weight |
573.654
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)no1
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| InChI |
InChI=1S/C30H35N7O5/c1-30(2,3)25-19-27(36-42-25)33-29(39)31-22-8-4-20(5-9-22)24-18-26(35-34-24)32-28(38)21-6-10-23(11-7-21)41-17-14-37-12-15-40-16-13-37/h4-11,18-19H,12-17H2,1-3H3,(H2,31,33,36,39)(H2,32,34,35,38)
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| InChIKey |
IJYDTCORQZBRMY-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