General Information of the Compound
| Compound ID |
CP0441094
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| Compound Name |
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine-2-carboxamide
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| Structure |
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| Formula |
C27H31F3N6O4
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| Molecular Weight |
560.577
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(CC(F)(F)F)CC4)cn3)cc2)no1
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| InChI |
InChI=1S/C27H31F3N6O4/c1-26(2,3)22-14-23(35-40-22)34-25(38)33-18-6-4-17(5-7-18)32-24(37)21-9-8-20(15-31-21)39-19-10-12-36(13-11-19)16-27(28,29)30/h4-9,14-15,19H,10-13,16H2,1-3H3,(H,32,37)(H2,33,34,35,38)
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| InChIKey |
DVPCNIKFABUUTG-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: PT02032, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3