General Information of the Compound
| Compound ID |
CP0542987
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| Compound Name |
[4-(4-methylpiperazin-1-yl)piperidin-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 |
C27H38F3N9O
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| Molecular Weight |
561.657
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| Canonical SMILES |
CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(Nc2ncc(c(NCC3CCNCC3)n2)C(F)(F)F)cn1
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| InChI |
InChI=1S/C27H38F3N9O/c1-37-12-14-38(15-13-37)21-6-10-39(11-7-21)25(40)23-3-2-20(17-32-23)35-26-34-18-22(27(28,29)30)24(36-26)33-16-19-4-8-31-9-5-19/h2-3,17-19,21,31H,4-16H2,1H3,(H2,33,34,35,36)
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| InChIKey |
PUVJFVDBXUHWTQ-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