General Information of the Compound
| Compound ID |
CP0571899
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| Compound Name |
(4-methylpiperazin-1-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 |
C22H29F3N8O
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| Molecular Weight |
478.523
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc(c(NCC3CCNCC3)n2)C(F)(F)F)cn1
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| InChI |
InChI=1S/C22H29F3N8O/c1-32-8-10-33(11-9-32)20(34)18-3-2-16(13-27-18)30-21-29-14-17(22(23,24)25)19(31-21)28-12-15-4-6-26-7-5-15/h2-3,13-15,26H,4-12H2,1H3,(H2,28,29,30,31)
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| InChIKey |
GHGBMMYCFPSSHA-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