General Information of the Compound
| Compound ID |
CP0574794
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| Compound Name |
CHEMBL5092253
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| Formula |
C19H23F3N6O
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| Molecular Weight |
408.428
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| Canonical SMILES |
CNC(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C19H23F3N6O/c1-24-17(29)11-2-6-14(7-3-11)27-18-25-10-15(19(20,21)22)16(28-18)26-13-8-4-12(23)5-9-13/h2-3,6-7,10,12-13H,4-5,8-9,23H2,1H3,(H,24,29)(H2,25,26,27,28)/t12-,13+
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| InChIKey |
QGVMEYVYURPBQO-BETUJISGSA-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