General Information of the Compound
| Compound ID |
CP0358252
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| Compound Name |
N-[3-[[1-[6-(4-aminobutylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H29F3N8O
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| Molecular Weight |
574.611
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCCN)ncn1
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| InChI |
InChI=1S/C30H29F3N8O/c1-19-11-12-22(38-28(42)20-7-6-8-21(15-20)30(31,32)33)16-24(19)40-29-39-23-9-2-3-10-25(23)41(29)27-17-26(36-18-37-27)35-14-5-4-13-34/h2-3,6-12,15-18H,4-5,13-14,34H2,1H3,(H,38,42)(H,39,40)(H,35,36,37)
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| InChIKey |
GMIVUSAKVGKIOC-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