General Information of the Compound
| Compound ID |
CP0166278
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| Compound Name |
N-[3-[[1-[6-[4-(dimethylamino)butylamino]pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C32H33F3N8O
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| Molecular Weight |
602.665
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| Canonical SMILES |
CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
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| InChI |
InChI=1S/C32H33F3N8O/c1-21-13-14-24(39-30(44)22-9-8-10-23(17-22)32(33,34)35)18-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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| InChIKey |
UOJUQBSCCIRCHS-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