General Information of the Compound
| Compound ID |
CP0313160
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| Compound Name |
5-[4-[6-[3-(diethylamino)propoxy]-7-methoxyquinazolin-4-yl]oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
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| Structure |
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| Formula |
C36H34F2N6O4
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| Molecular Weight |
652.702
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| Canonical SMILES |
CCN(CC)CCCOc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OC
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| InChI |
InChI=1S/C36H34F2N6O4/c1-4-44(5-2)15-6-16-47-32-18-25-29(19-31(32)46-3)41-21-42-36(25)48-30-12-11-24(17-27(30)38)43-35-33-28(13-14-39-35)40-20-26(34(33)45)22-7-9-23(37)10-8-22/h7-14,17-21H,4-6,15-16H2,1-3H3,(H,39,43)(H,40,45)
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| InChIKey |
DOGHUAAKQKSPCM-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