General Information of the Compound
| Compound ID |
CP0133124
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| Compound Name |
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine
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| Synonyms |
PLX-3397
Pexidartinib
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| Structure |
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| Formula |
C20H15ClF3N5
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| Molecular Weight |
417.822
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| Canonical SMILES |
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
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| InChI |
InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
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| InChIKey |
JGWRKYUXBBNENE-UHFFFAOYSA-N
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| CAS |
1029044-16-3
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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: PT01223, Aurora kinase B
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT02032, Macrophage colony-stimulating factor 1 receptor
Clinical Information about the Compound
Drug 1 ( Pexidartinib )
| Drug Name | Pexidartinib | ||
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| Company | Plexxikon Inc | ||
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