General Information of the Compound
| Compound ID |
CP0150285
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| Compound Name |
4-methyl-3-(1-(6-(2-(4-methylpiperazin-1-yl)ethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-N-m-tolylbenzamide
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| Structure |
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| Formula |
C33H37N9O
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| Molecular Weight |
575.721
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| Canonical SMILES |
CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
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| InChI |
InChI=1S/C33H37N9O/c1-23-7-6-8-26(19-23)37-32(43)25-12-11-24(2)28(20-25)39-33-38-27-9-4-5-10-29(27)42(33)31-21-30(35-22-36-31)34-13-14-41-17-15-40(3)16-18-41/h4-12,19-22H,13-18H2,1-3H3,(H,37,43)(H,38,39)(H,34,35,36)
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| InChIKey |
BLOGCIUNNJYXBR-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