General Information of the Compound
| Compound ID |
CP0406566
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| Compound Name |
N-[3-[4-[4-(1-acetylpiperidin-4-yl)oxy-3-methylanilino]quinazolin-6-yl]prop-2-ynyl]-2-methoxyacetamide
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| Structure |
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| Formula |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(C)=O)c(C)c3)c2c1
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| InChI |
InChI=1S/C28H31N5O4/c1-19-15-22(7-9-26(19)37-23-10-13-33(14-11-23)20(2)34)32-28-24-16-21(6-8-25(24)30-18-31-28)5-4-12-29-27(35)17-36-3/h6-9,15-16,18,23H,10-14,17H2,1-3H3,(H,29,35)(H,30,31,32)
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| InChIKey |
AIWRIXMXKBNVNS-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