General Information of the Compound
| Compound ID |
CP0569341
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| Compound Name |
2-[(1,3-dioxoisoindol-2-yl)methyl]-6-fluoro-3-hydroxy-N-[3-[5-[2-[2-methoxy-5-(prop-2-enoylamino)anilino]pyridin-4-yl]-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]benzamide
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| Structure |
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| Formula |
C41H32FN7O6S
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| Molecular Weight |
769.815
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| Canonical SMILES |
COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1
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| InChI |
InChI=1S/C41H32FN7O6S/c1-4-34(51)44-25-12-15-32(55-2)30(20-25)46-33-19-23(16-17-43-33)37-36(47-41(48-37)56-3)22-8-7-9-24(18-22)45-38(52)35-28(31(50)14-13-29(35)42)21-49-39(53)26-10-5-6-11-27(26)40(49)54/h4-20,50H,1,21H2,2-3H3,(H,43,46)(H,44,51)(H,45,52)(H,47,48)
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| InChIKey |
KTEDETIDNJUQIZ-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