General Information of the Compound
| Compound ID |
CP0380015
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| Compound Name |
N-[7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C25H23N7O2
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| Molecular Weight |
453.506
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccn5)ncc4c3)ncnc2cc1OC
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| InChI |
InChI=1S/C25H23N7O2/c1-3-24(33)31-21-11-19-20(12-23(21)34-2)27-15-28-25(19)30-17-7-8-22-16(10-17)13-29-32(22)14-18-6-4-5-9-26-18/h4-13,15H,3,14H2,1-2H3,(H,31,33)(H,27,28,30)
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| InChIKey |
KABLMFMHWJFKIW-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: PT01159, Receptor tyrosine-protein kinase erbB-4