General Information of the Compound
| Compound ID |
CP0514243
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| Compound Name |
2-methoxy-N-(3-(4-(4-(1-(2-methoxyacetyl)piperidin-4-yloxy)-3-methylphenylamino)quinazolin-6-yl)prop-2-ynyl)acetamide
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| Structure |
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| Formula |
C29H33N5O5
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| Molecular Weight |
531.613
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)COC)c(C)c3)c2c1
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| InChI |
InChI=1S/C29H33N5O5/c1-20-15-22(7-9-26(20)39-23-10-13-34(14-11-23)28(36)18-38-3)33-29-24-16-21(6-8-25(24)31-19-32-29)5-4-12-30-27(35)17-37-2/h6-9,15-16,19,23H,10-14,17-18H2,1-3H3,(H,30,35)(H,31,32,33)
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| InChIKey |
GLEROIKGELQNRO-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