General Information of the Compound
| Compound ID |
CP0227163
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| Compound Name |
N-[4-methyl-3-[[1-[6-(3-morpholin-3-ylpropylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C33H33F3N8O2
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| Molecular Weight |
630.675
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCC2COCCN2)ncn1
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| InChI |
InChI=1S/C33H33F3N8O2/c1-21-11-12-24(41-31(45)22-6-4-7-23(16-22)33(34,35)36)17-27(21)43-32-42-26-9-2-3-10-28(26)44(32)30-18-29(39-20-40-30)38-13-5-8-25-19-46-15-14-37-25/h2-4,6-7,9-12,16-18,20,25,37H,5,8,13-15,19H2,1H3,(H,41,45)(H,42,43)(H,38,39,40)
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| InChIKey |
XPIADKIXMMYTSD-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