General Information of the Compound
| Compound ID |
CP0576075
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| Compound Name |
5-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1-methyl-1,6-naphthyridin-4-one
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| Structure |
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| Formula |
C31H23F2N5O4
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| Molecular Weight |
567.552
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(Nc4nccc5n(C)cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC
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| InChI |
InChI=1S/C31H23F2N5O4/c1-38-15-21(17-4-6-18(32)7-5-17)29(39)28-24(38)10-11-34-30(28)37-19-8-9-25(22(33)12-19)42-31-20-13-26(40-2)27(41-3)14-23(20)35-16-36-31/h4-16H,1-3H3,(H,34,37)
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| InChIKey |
JJEKFCXWXWVZCL-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