General Information of the Compound
| Compound ID |
CP0230192
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| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C32H31F3N8O2
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| Molecular Weight |
616.648
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| Canonical SMILES |
CN1CCC(CC1)Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1
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| InChI |
InChI=1S/C32H31F3N8O2/c1-19-7-8-22(16-26(19)41-31-40-25-5-3-4-6-27(25)43(31)29-17-28(36)37-18-38-29)39-30(44)20-13-21(32(33,34)35)15-24(14-20)45-23-9-11-42(2)12-10-23/h3-8,13-18,23H,9-12H2,1-2H3,(H,39,44)(H,40,41)(H2,36,37,38)
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| InChIKey |
INIPJCMUHKXHJQ-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: PT01101, Insulin receptor
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT00876, Tyrosine-protein kinase Lck
Protein ID: PT00875, Tyrosine-protein kinase Lyn
Protein ID: PT00864, Vascular endothelial growth factor receptor 2