General Information of the Compound
| Compound ID |
CP0261968
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| Compound Name |
CHEMBL5089164
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| Formula |
C21H23F3N6O
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| Molecular Weight |
432.45
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| Canonical SMILES |
Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O
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| InChI |
InChI=1S/C21H23F3N6O/c1-30-9-8-12-10-15(6-7-16(12)19(30)31)28-20-26-11-17(21(22,23)24)18(29-20)27-14-4-2-13(25)3-5-14/h6-11,13-14H,2-5,25H2,1H3,(H2,26,27,28,29)/t13-,14+
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| InChIKey |
LSEAQLOYCHTEOK-OKILXGFUSA-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay