General Information of the Compound
| Compound ID |
CP0381230
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| Compound Name |
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
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| Structure |
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| Formula |
C31H37N7O5
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| Molecular Weight |
587.681
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| Canonical SMILES |
Cc1cc(ccc1NC(=O)Nc1cc(on1)C(C)(C)C)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1
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| InChI |
InChI=1S/C31H37N7O5/c1-20-17-22(7-10-24(20)32-30(40)34-28-19-26(43-37-28)31(2,3)4)25-18-27(36-35-25)33-29(39)21-5-8-23(9-6-21)42-16-13-38-11-14-41-15-12-38/h5-10,17-19H,11-16H2,1-4H3,(H2,32,34,37,40)(H2,33,35,36,39)
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| InChIKey |
TXWGCUMZODJNKF-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: PT01203, ALK tyrosine kinase receptor
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000071 | MOLM-13 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 8 nM
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TI
LI
LO
TS
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