General Information of the Compound
| Compound ID |
CP0227161
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| Compound Name |
N-[3-[[1-[6-[4-(diethylamino)butylamino]pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C34H37F3N8O
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| Molecular Weight |
630.719
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| Canonical SMILES |
CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
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| InChI |
InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
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| InChIKey |
FITNUKNIUJHPPH-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