General Information of the Compound
| Compound ID |
CP0147357
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| Compound Name |
4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propylamino)-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C33H35F3N10O
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| Molecular Weight |
644.706
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| Canonical SMILES |
CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
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| InChI |
InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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| InChIKey |
BCNXUFFSRWFFQA-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