General Information of the Compound
| Compound ID |
CP0166379
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| Compound Name |
3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methyl-N-m-tolylbenzamide
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| Structure |
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| Formula |
C32H36N8O
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| Molecular Weight |
548.695
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| Canonical SMILES |
CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
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| InChI |
InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(H,37,38)(H,33,34,35)
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| InChIKey |
BDUYLUFNRITWFA-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