General Information of the Compound
| Compound ID |
CP0537722
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| Compound Name |
CHEMBL5087845
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| Formula |
C20H23F3N6O
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| Molecular Weight |
420.439
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| Canonical SMILES |
CN1Cc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2C1=O
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| InChI |
InChI=1S/C20H23F3N6O/c1-29-10-11-8-14(6-7-15(11)18(29)30)27-19-25-9-16(20(21,22)23)17(28-19)26-13-4-2-12(24)3-5-13/h6-9,12-13H,2-5,10,24H2,1H3,(H2,25,26,27,28)/t12-,13+
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| InChIKey |
LRGHRMAKDYMLGF-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