General Information of the Compound
| Compound ID |
CP0150295
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| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-3-chloro-4-[(4-ethylpiperazin-1-yl)methyl]benzamide
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| Structure |
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| Formula |
C32H34ClN9O
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| Molecular Weight |
596.139
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| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
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| InChI |
InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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| InChIKey |
KXTIIOOGQPWWGE-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