General Information of the Compound
| Compound ID |
CP0571194
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| Compound Name |
5-[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
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| Structure |
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| Formula |
C36H32F2N6O4
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| Molecular Weight |
650.686
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| Canonical SMILES |
COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCCN1CCCC1
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| InChI |
InChI=1S/C36H32F2N6O4/c1-46-31-18-25-29(19-32(31)47-16-4-15-44-13-2-3-14-44)41-21-42-36(25)48-30-10-9-24(17-27(30)38)43-35-33-28(11-12-39-35)40-20-26(34(33)45)22-5-7-23(37)8-6-22/h5-12,17-21H,2-4,13-16H2,1H3,(H,39,43)(H,40,45)
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| InChIKey |
WABZCKCXZGRTFB-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