General Information of the Compound
| Compound ID |
CP0486209
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| Compound Name |
N-[3-[4-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]oxy-3-methylanilino]quinazolin-6-yl]prop-2-ynyl]-2-methoxyacetamide
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| Structure |
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| Formula |
C31H35N5O4
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| Molecular Weight |
541.652
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCC4)c(C)c3)c2c1
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| InChI |
InChI=1S/C31H35N5O4/c1-21-17-24(9-11-28(21)40-25-12-15-36(16-13-25)31(38)23-6-3-7-23)35-30-26-18-22(8-10-27(26)33-20-34-30)5-4-14-32-29(37)19-39-2/h8-11,17-18,20,23,25H,3,6-7,12-16,19H2,1-2H3,(H,32,37)(H,33,34,35)
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| InChIKey |
ARONTHZOHQBYDZ-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