General Information of the Compound
| Compound ID |
CP0301436
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| Compound Name |
N-[3-[5-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2,6-difluorobenzamide
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| Structure |
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| Formula |
C34H30F2N8OS
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| Molecular Weight |
636.732
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
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| InChI |
InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)
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| InChIKey |
OPHRYHXTWRJEBA-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2