General Information of the Compound
| Compound ID |
CP0550006
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| Compound Name |
morpholin-4-yl-[5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridin-2-yl]methanone
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| Structure |
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| Formula |
C21H26F3N7O2
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| Molecular Weight |
465.48
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc(nc2)C(=O)N2CCOCC2)nc1NCC1CCNCC1
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| InChI |
InChI=1S/C21H26F3N7O2/c22-21(23,24)16-13-28-20(30-18(16)27-11-14-3-5-25-6-4-14)29-15-1-2-17(26-12-15)19(32)31-7-9-33-10-8-31/h1-2,12-14,25H,3-11H2,(H2,27,28,29,30)
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| InChIKey |
XVLUQZHJYRGOQO-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3