General Information of the Compound
| Compound ID |
CP0538771
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| Compound Name |
4-[6-(but-2-ynoylamino)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C31H29N5O5
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| Molecular Weight |
551.603
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| Canonical SMILES |
CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1
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| InChI |
InChI=1S/C31H29N5O5/c1-2-5-30(37)34-26-20-24-25(21-28(26)40-19-16-36-14-17-39-18-15-36)32-13-11-27(24)41-23-9-7-22(8-10-23)31(38)35-29-6-3-4-12-33-29/h3-4,6-13,20-21H,14-19H2,1H3,(H,34,37)(H,33,35,38)
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| InChIKey |
OPKHZFMFWCMAPS-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: PT01308, Tyrosine-protein kinase BTK