General Information of the Compound
| Compound ID |
CP0548139
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| Compound Name |
4-[7-methoxy-6-(5-morpholin-4-ylpent-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
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| Formula |
C31H29N5O5
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| Molecular Weight |
551.603
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1
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| InChI |
InChI=1S/C31H29N5O5/c1-39-28-21-25-24(20-26(28)34-30(37)7-3-5-15-36-16-18-40-19-17-36)27(12-14-32-25)41-23-10-8-22(9-11-23)31(38)35-29-6-2-4-13-33-29/h2,4,6,8-14,20-21H,5,15-19H2,1H3,(H,34,37)(H,33,35,38)
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| InChIKey |
KPZGJWPPVXZLDN-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